infile : D:/git/tkProg/tkprog_COE/electrical/optimize_mup/pmodel/mu-fit.xlsx parameter file : D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in parameter backup file: D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-back.in mode : init Read [D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in] cparams: colors: ['black', 'red', 'blue', 'green', 'orange', 'darkgreen', 'darkorange', 'navy', 'slategray', 'hotpink', 'olive', 'chocolate', 'magenta', 'green', 'yellow', 'cyan'] debug: 0 figsize: [12, 6] fix_N: False fontsize: 14 graphupdateinterval: 10 h_diff: 1e-05 infile: D:/git/tkProg/tkprog_COE/electrical/optimize_mup/pmodel/mu-fit.xlsx legend_fontsize: 12 linewidth: 2.0 logfile: D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-out.txt method: nelder-mead mode: init mu_label: 7 nmaxiter: 1000 nT: 91 outfile: D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-out.xlsx parameterbkfile: D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-back.in parameterfile: D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in plot_interval: 1 print_interval: 5 print_level: 0 T_label: 6 Tcalmax: 1000 Tcalmin: 50 Tmax: 1e+100 Tmin: -1e+100 tol: 1e-05 Tstep: 10 xlabel: T (K) ylabel: mu(obs) (cm2/Vs) Fitting to mu-T Hall data by nonlinear least-squares method mode : init infile : D:/git/tkProg/tkprog_COE/electrical/optimize_mup/pmodel/mu-fit.xlsx T range for fitting : -1e+100 - 1e+100 K T range for simulation: 50 - 1000 K parameter file : D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in xlabel : T (K) ylabel : mu(obs) (cm2/Vs) method : nelder-mead tol : 1e-05 nmaxiter: 1000 h_diff : 1e-05 Read data from [D:/git/tkProg/tkprog_COE/electrical/optimize_mup/pmodel/mu-fit.xlsx] Read [D:/git/tkProg/tkprog_COE/electrical/optimize_mup/pmodel/mu-fit.xlsx] ndata_all=15 ndata=15 T (K) mu(obs) (cm2/Vs) 302.3 102.1 256.6 110.7 211.3 119.8 166 128.5 120.7 134.7 75.38 137.4 31.02 138.1 13.28 138 30.89 138.1 75.71 137.4 121.2 134.6 166.4 128.4 211.7 119.9 256.9 110.8 302 102.1 Initial function: fmin= 68.25 i T mu mu(cal) 0 302.3 102.1 49.84 1 256.6 110.7 54.9 2 211.3 119.8 60.19 3 166 128.5 65.03 4 120.7 134.7 68.01 5 75.38 137.4 67.01 6 31.02 138.1 55.68 7 13.28 138 34.91 8 30.89 138.1 55.6 9 75.71 137.4 67.04 10 121.2 134.6 68 11 166.4 128.4 64.99 12 211.7 119.9 60.14 13 256.9 110.8 54.87 14 302 102.1 49.87 Optimize Variables 00: Eop= 0.046 (id=0) penality: 1e+04 * (0 - 1e+100) 01: Aop= 0.0297 (id=1) penality: 1e+06 * (0 - 1e+100) 02: AT0= 0.0138 (id=1) penality: 1e+06 * (0 - 1e+100) 03: AT32= 0.7186 (id=1) penality: 1 * (0 - 1e+100) 04: VB= 0 eV (id=0) penality: 100 * (0 - 1e+100) 05: s_phi= 0 eV (id=0) penality: 1e+06 * (0 - 1e+100) Optimizing parameters: optpk=[0.0297, 0.0138, 0.7186] Minimize: **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 400] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 399] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 9.9e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 2.43e+05] to f iter: 0 Eop : 0.046 Aop : 0.0293 AT0 : 0.005684 AT32 : 0.7186 VB : 0 eV s_phi : 0 eV f= 28.8707 **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 796] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 3.06e+05] to f **Warning: [AT0] is smaller than [0.0]. Add penalty [ 795] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 1.45e+04] to f iter: 5 Eop : 0.046 Aop : 0.02052 AT0 : 0.006032 AT32 : 0.7176 VB : 0 eV s_phi : 0 eV f= 28.1846 iter: 10 Eop : 0.046 Aop : 0.025 AT0 : 0.005859 AT32 : 0.7019 VB : 0 eV s_phi : 0 eV f= 28.0531 iter: 15 Eop : 0.046 Aop : 0.04073 AT0 : 0.005727 AT32 : 0.4798 VB : 0 eV s_phi : 0 eV f= 27.2469 **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.5] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 18.6] to f iter: 20 Eop : 0.046 Aop : 0.02169 AT0 : 0.006169 AT32 : 0.276 VB : 0 eV s_phi : 0 eV f= 17.0562 **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 594] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 593] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 339] to f iter: 25 Eop : 0.046 Aop : 0.02514 AT0 : 0.006354 AT32 : 0.2053 VB : 0 eV s_phi : 0 eV f= 14.9387 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00114] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0433] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.09e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000783] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000782] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000238] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000637] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000636] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f iter: 30 Eop : 0.046 Aop : 0.01802 AT0 : 0.00724 AT32 : -0.03877 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0015] to f f= 7.4217 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.002] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00159] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00168] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00206] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00369] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00306] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00695] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00416] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00387] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f iter: 35 Eop : 0.046 Aop : 0.01233 AT0 : 0.007549 AT32 : -0.06098 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00372] to f f= 6.29953 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00377] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00398] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00401] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00404] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00403] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00412] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00427] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f iter: 40 Eop : 0.046 Aop : 0.0104 AT0 : 0.007617 AT32 : -0.0648 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f f= 6.21678 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00423] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00424] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f iter: 45 Eop : 0.046 Aop : 0.009725 AT0 : 0.007653 AT32 : -0.06527 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f f= 6.19765 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00426] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00425] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00415] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00422] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00421] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0042] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00417] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00402] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00386] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00348] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00374] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f iter: 50 Eop : 0.046 Aop : 0.0079 AT0 : 0.007695 AT32 : -0.0611 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f f= 5.99651 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00373] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00371] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00367] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00349] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00366] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00365] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00364] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f iter: 55 Eop : 0.046 Aop : 0.01039 AT0 : 0.007596 AT32 : -0.05999 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0036] to f f= 5.67556 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00354] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00359] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00358] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00356] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00346] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00332] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00345] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00344] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00343] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00336] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00317] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00288] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f iter: 60 Eop : 0.046 Aop : 0.01201 AT0 : 0.007523 AT32 : -0.05587 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00312] to f f= 5.59001 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00308] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00307] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00289] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00261] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0026] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0021] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00247] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00236] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00235] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00193] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00151] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000745] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f iter: 65 Eop : 0.046 Aop : 0.01538 AT0 : 0.007332 AT32 : -0.03418 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f f= 5.12242 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00117] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00116] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00115] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.0011] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 377] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000618] to f **Warning: [Aop] is smaller than [0.0]. Add penalty [ 378] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000617] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00113] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f iter: 70 Eop : 0.046 Aop : 0.01083 AT0 : 0.007452 AT32 : -0.03351 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f f= 2.96751 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00112] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00109] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00102] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000911] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00101] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.001] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000975] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f iter: 75 Eop : 0.046 Aop : 0.01121 AT0 : 0.007429 AT32 : -0.03148 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f f= 2.77017 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000991] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00099] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000989] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000988] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000981] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000952] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000951] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000908] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000907] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000803] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000906] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000905] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000905] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000904] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000899] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000898] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000875] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000784] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000687] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000686] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000542] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000541] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.94e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.94e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.94e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.94e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.94e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.95e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 7.93e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f iter: 80 Eop : 0.046 Aop : 0.01036 AT0 : 0.007347 AT32 : -0.0182 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000331] to f f= 2.20225 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000287] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000286] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000181] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00018] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.00012] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000119] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000138] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000137] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000136] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000134] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000133] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000128] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000127] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 0.000105] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.65e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.65e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.65e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.65e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.65e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.66e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.64e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f iter: 85 Eop : 0.046 Aop : 0.01257 AT0 : 0.007248 AT32 : -0.004546 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f f= 0.586379 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.07e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.06e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.05e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.04e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.01e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f iter: 90 Eop : 0.046 Aop : 0.01218 AT0 : 0.00728 AT32 : -0.004503 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f f= 0.306046 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.89e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.03e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.02e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.01e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.99e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.91e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.9e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.56e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.55e-05] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 9.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.51e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f iter: 95 Eop : 0.046 Aop : 0.01211 AT0 : 0.007272 AT32 : -0.002208 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f f= 0.2408 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.89e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f iter: 100 Eop : 0.046 Aop : 0.01231 AT0 : 0.00727 AT32 : -0.002207 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f f= 0.158799 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.84e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.87e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.9e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.84e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.89e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.88e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.8e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.81e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.8e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.81e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.8e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.81e-06] to f iter: 105 Eop : 0.046 Aop : 0.01227 AT0 : 0.007272 AT32 : -0.002199 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f f= 0.153528 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.81e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.81e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.83e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.8e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.85e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.82e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.65e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.79e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.74e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.76e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.73e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.75e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.75e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.7e-06] to f iter: 110 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.002173 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.72e-06] to f f= 0.152721 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.74e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.67e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.64e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.69e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.71e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.65e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.66e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.68e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.65e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.58e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.58e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.63e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.58e-06] to f iter: 115 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.002146 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.61e-06] to f f= 0.151859 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.62e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.58e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.6e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.59e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.54e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.56e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.56e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.56e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.56e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.56e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.58e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.55e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.57e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.52e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.53e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.48e-06] to f iter: 120 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.002122 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.5e-06] to f f= 0.15095 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.38e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.38e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.38e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.38e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.38e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.35e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.49e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.48e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.48e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f iter: 125 Eop : 0.046 Aop : 0.01227 AT0 : 0.007271 AT32 : -0.002105 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f f= 0.150342 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.41e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.46e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.43e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.45e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.44e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.42e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.31e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f iter: 130 Eop : 0.046 Aop : 0.01229 AT0 : 0.00727 AT32 : -0.002071 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.29e-06] to f f= 0.149837 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.25e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.25e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f iter: 135 Eop : 0.046 Aop : 0.01227 AT0 : 0.007271 AT32 : -0.00205 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f f= 0.14873 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.21e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.16e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.19e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.18e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.2e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f iter: 140 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.002036 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f f= 0.14823 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.17e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.14e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.16e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.16e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.15e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f iter: 145 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.00203 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.12e-06] to f f= 0.147902 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.07e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.13e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.09e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.09e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.09e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.09e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.09e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.11e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.06e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.1e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f iter: 150 Eop : 0.046 Aop : 0.01228 AT0 : 0.007271 AT32 : -0.002019 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f f= 0.147588 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.03e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.99e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.08e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.03e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.99e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.07e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.07e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.02e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.06e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.01e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 4.03e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.98e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.86e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.89e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.84e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.32e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.32e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.32e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.32e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.32e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.35e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 3.3e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.37e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.39e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.35e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.04e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.05e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 1.03e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f iter: 155 Eop : 0.046 Aop : 0.01231 AT0 : 0.007268 AT32 : -0.001498 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f f= 0.139738 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.23e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f iter: 160 Eop : 0.046 Aop : 0.0123 AT0 : 0.007268 AT32 : -0.001497 VB : 0 eV s_phi : 0 eV **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f f= 0.139398 **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.26e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.22e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f **Warning: [AT32] is smaller than [0.0]. Add penalty [ 2.24e-06] to f Current function value: 0.139395 Iterations: 164 Function evaluations: 3303 Gradient evaluations: 470 Function did not converge Final parameters Eop : 0.046 Aop : 0.0123 AT0 : 0.007268 AT32 : -0.001497 VB : 0 eV s_phi : 0 eV f= 0.139395 Final result Scores between y(input) and y(fit) Mean values = = sum(y1) / n : 125.4 = sum(y2) / n : 125.4 Variance = sum((y1 - )^2) / n : 168.8 = sum((y2 - )^2) / n : 168.9 Standard deviation = sqrt(Variance(y1)) : 12.99 sqrt(Variance(y2)) : 12.99 Sample std = sqrt(sum(y1 - )^2 / (n-1) : 13.45 sqrt(sum(y1 - )^2 / (n-1) : 13.45 MAE (mean absolute error) = sum(|y1 - y2|) / n : 0.1078 MSE (mean squared error) = sum((y1 - y2)^2) / n: 0.01943 RMSE (root MSE) = sqrt(MSE) : 0.1394 R^2 (coefficient of determnation) = 1 - sum((y1 - y2)^2 / sum(y1 - )^2: 0.9999 r (correlation coefficient) : 1 Components of mobility T(K) mu,obs(cm2/Vs) mu,tot Kgb mu,in-grain mu,op mu,T0 mu,T3/2 302 102.1 102 1 102 394.3 137.6 -3.51e+06 257 110.7 110.8 1 110.8 569.8 137.6 -2.746e+06 211 119.8 120 1 120 936.1 137.6 -2.051e+06 166 128.5 128.5 1 128.5 1947 137.6 -1.428e+06 121 134.7 134.8 1 134.8 6695 137.6 -8.857e+05 75.4 137.4 137.4 1 137.4 9.67e+04 137.6 -4.371e+05 31 138.1 137.7 1 137.7 2.421e+09 137.6 -1.154e+05 13.3 138 138.2 1 138.2 2.331e+19 137.6 -3.233e+04 30.9 138.1 137.7 1 137.7 2.596e+09 137.6 -1.147e+05 75.7 137.4 137.4 1 137.4 9.378e+04 137.6 -4.4e+05 121 134.6 134.8 1 134.8 6577 137.6 -8.91e+05 166 128.4 128.4 1 128.4 1929 137.6 -1.434e+06 212 119.9 119.9 1 119.9 931 137.6 -2.057e+06 257 110.8 110.8 1 110.8 568.5 137.6 -2.75e+06 302 102.1 102 1 102 395 137.6 -3.505e+06 T(K) w,gb w,op w,T0 w,T32 302 0 0.2587 0.7413 -2.906e-05 257 0 0.1945 0.8055 -4.036e-05 211 0 0.1281 0.8718 -5.847e-05 166 0 0.06599 0.9339 -8.998e-05 121 0 0.02013 0.9797 -0.0001522 75.4 0 0.00142 0.9983 -0.0003142 31 0 5.677e-08 0.9988 -0.001191 13.3 0 5.877e-18 0.9958 -0.004238 30.9 0 5.293e-08 0.9988 -0.001198 75.7 0 0.001465 0.9982 -0.0003121 121 0 0.02049 0.9794 -0.0001512 166 0 0.06658 0.9333 -8.953e-05 212 0 0.1287 0.8712 -5.826e-05 257 0 0.1949 0.8051 -4.028e-05 302 0 0.2583 0.7416 -2.911e-05 Save parameters to D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in Save parameters to D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit.in Save fitting data to [D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-muT-init.xlsx] Save to [D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-muT-init.xlsx] Save component data to [D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-muT-components.xlsx] Save to [D:\git\tkProg\tkprog_COE\electrical\optimize_mup\pmodel\mu-fit-muT-components.xlsx] Plot optimized time at startup:25/06/04 12:52:09 time at end:25/06/04 12:52:26 Elapsed time from startup to end: 17.1973 sec (i) usage: python D:\git\tkProg\tkprog_COE\electrical\mu-T-Fit_tkFit.py fit mode infile xlabel ylabel Tmin Tmax Tcalmin Tcalmax