EF-T-semi_FEA 実行例

help出力 EF-T-semi_FEA.py --help

time at startup: 26/03/21 16:30:35

===============================================================================
  Calculate T dependences of semiconductor statistics using VASP results
===============================================================================
mode:  --help

Eg: 1.1 eV
Valence band:
 EV : 0.0 eV
 mh*: 1.0 me
 NV : 2.509414703888377e+19 me at 300 K
 DV0: 6.812178509201035e+21 me at 300 K
Conduction band:
 EC : 1.1 eV
 me*: 0.3 me
 NC : 4.1233891183644324e+18 me at 300 K
 DC0: 1.119355150572396e+21 me at 300 K

Acceptor states:
  0.0 cm^-3 at 0.05 eV
Donoar states:
  8e+16 cm^-3 at 1.05 eV

DOS range:     -0.5 -      1.6,     0.01 steps, nE=211

Integration configuration
  Integration E range: -3.0 - 3.0 eV, or EF+-6.0*kBT eV

Error: Invalid mode [--help]


Usage: Variables in () are optional
 python EF-T-semi_FEA.py mode (file args)
 (i) python EF-T-semi_FEA.py me dE
     Plot DOS and fit for me*(DOS)
     dE: Energy range from EC/EV for fitting to m*(DOS)
     ex: python EF-T-semi_FEA.py me 0.5
 (ii) python EF-T-semi_FEA.py T EC EA NA ED ND Tmin Tmax nT)
     Calculate T dependences of ne, nh, ND+, NA-
     Tmin, Tmax, nT: T range and mesh
     ex: python EF-T-semi_FEA.py T 1.1 0.05 0.0 1.05 8e+16 300 600 11
 (iii) python EF-T-semi_FEA.py EF T EC EA NA ED ND nEF)
     Calculate EF dependences of ne, nh, ND+, NA-
     nEF: # of EF mesh
     ex: python EF-T-semi_FEA.py EF 300 1.1 0.05 0.0 1.05 8e+16 51

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