EffectiveMass 実行例

help出力 EffectiveMass.py --help

k= [-0.5, -0.49, -0.48, -0.47, -0.46, -0.45, -0.44, -0.43, -0.42, -0.41000000000000003, -0.4, -0.39, -0.38, -0.37, -0.36, -0.35, -0.33999999999999997, -0.32999999999999996, -0.32, -0.31, -0.3, -0.29000000000000004, -0.28, -0.27, -0.26, -0.25, -0.24, -0.22999999999999998, -0.21999999999999997, -0.21000000000000002, -0.2, -0.19, -0.18, -0.16999999999999998, -0.15999999999999998, -0.14999999999999997, -0.14, -0.13, -0.12, -0.10999999999999999, -0.09999999999999998, -0.08999999999999997, -0.08000000000000002, -0.07, -0.06, -0.04999999999999999, -0.03999999999999998, -0.02999999999999997, -0.020000000000000018, -0.010000000000000009, 0.0, 0.010000000000000009, 0.020000000000000018, 0.030000000000000027, 0.040000000000000036, 0.050000000000000044, 0.06000000000000005, 0.07000000000000006, 0.07999999999999996, 0.08999999999999997, 0.09999999999999998, 0.10999999999999999, 0.12, 0.13, 0.14, 0.15000000000000002, 0.16000000000000003, 0.17000000000000004, 0.18000000000000005, 0.19000000000000006, 0.20000000000000007, 0.20999999999999996, 0.21999999999999997, 0.22999999999999998, 0.24, 0.25, 0.26, 0.27, 0.28, 0.29000000000000004, 0.30000000000000004, 0.31000000000000005, 0.32000000000000006, 0.33000000000000007, 0.33999999999999997, 0.35, 0.36, 0.37, 0.38, 0.39, 0.4, 0.41000000000000003, 0.42000000000000004, 0.43000000000000005, 0.44000000000000006, 0.45000000000000007, 0.45999999999999996, 0.47, 0.48, 0.49, 0.5]
E= [8.0, 7.992106913713086, 7.968458805257911, 7.929149002914754, 7.874332644514524, 7.804226065180615, 7.719105943553005, 7.619308209864077, 7.505226720175454, 7.37731170200806, 7.23606797749979, 7.082052971103156, 6.915874509685645, 6.738188423714755, 6.549695958994759, 6.351141009169892, 6.143307179915986, 5.92701469640686, 5.703117166260291, 5.472498210738712, 5.23606797749979, 4.994759548659419, 4.749525258342899, 4.501332934257217, 4.251162078117254, 3.9999999999999996, 3.748837921882746, 3.498667065742782, 3.2504747416571003, 3.005240451340581, 2.76393202250021, 2.5275017892612874, 2.2968828337397094, 2.0729853035931387, 1.856692820084013, 1.6488589908301066, 1.4503040410052415, 1.2618115762852455, 1.0841254903143538, 0.9179470288968425, 0.7639320225002102, 0.6226882979919393, 0.49477327982454566, 0.38069179013592214, 0.28089405644699417, 0.19577393481938543, 0.12566735548547525, 0.07085099708524512, 0.03154119474208894, 0.007893086286913764, 0.0, 0.007893086286913764, 0.03154119474208894, 0.07085099708524556, 0.1256673554854757, 0.19577393481938588, 0.2808940564469946, 0.3806917901359226, 0.4947732798245452, 0.6226882979919393, 0.7639320225002102, 0.9179470288968425, 1.0841254903143538, 1.2618115762852455, 1.4503040410052415, 1.648858990830108, 1.8566928200840138, 2.072985303593139, 2.2968828337397103, 2.527501789261289, 2.763932022500212, 3.00524045134058, 3.2504747416571003, 3.498667065742782, 3.748837921882746, 3.9999999999999996, 4.251162078117254, 4.501332934257217, 4.749525258342899, 4.994759548659419, 5.23606797749979, 5.472498210738713, 5.703117166260291, 5.927014696406862, 6.143307179915986, 6.351141009169892, 6.549695958994759, 6.738188423714755, 6.915874509685645, 7.082052971103156, 7.23606797749979, 7.37731170200806, 7.505226720175454, 7.619308209864078, 7.719105943553005, 7.804226065180615, 7.874332644514524, 7.929149002914754, 7.968458805257911, 7.992106913713086, 8.0]

Differentiate for nskip =  1
i    E[i-1]  E[i]    E[i+1]  1.0/m*
1 8.0 7.992106913713086 7.968458805257911 -9.198632594484385e+30
2 7.992106913713086 7.968458805257911 7.929149002914754 -9.144142505431506e+30
3 7.968458805257911 7.929149002914754 7.874332644514524 -9.053564663472401e+30
4 7.929149002914754 7.874332644514524 7.804226065180615 -8.927256537965084e+30
5 7.874332644514524 7.804226065180615 7.719105943553005 -8.76571660938042e+30
6 7.804226065180615 7.719105943553005 7.619308209864077 -8.569582402012176e+30
7 7.719105943553005 7.619308209864077 7.505226720175454 -8.339627967972146e+30
8 7.619308209864077 7.505226720175454 7.37731170200806 -8.076760832357323e+30
9 7.505226720175454 7.37731170200806 7.23606797749979 -7.782018411658244e+30
10 7.37731170200806 7.23606797749979 7.082052971103156 -7.456563919553962e+30
11 7.23606797749979 7.082052971103156 6.915874509685645 -7.101681776238697e+30
12 7.082052971103156 6.915874509685645 6.738188423714755 -6.718772539403018e+30
13 6.915874509685645 6.738188423714755 6.549695958994759 -6.309347376870689e+30
14 6.738188423714755 6.549695958994759 6.351141009169892 -5.875022102707248e+30
15 6.549695958994759 6.351141009169892 6.143307179915986 -5.417510800345326e+30
16 6.351141009169892 6.143307179915986 5.92701469640686 -4.9386190578834056e+30
17 6.143307179915986 5.92701469640686 5.703117166260291 -4.440236842235153e+30
18 5.92701469640686 5.703117166260291 5.472498210738712 -3.924331040327921e+30
19 5.703117166260291 5.472498210738712 5.23606797749979 -3.392937696655685e+30
20 5.472498210738712 5.23606797749979 4.994759548659419 -2.848153977984039e+30
21 5.23606797749979 4.994759548659419 4.749525258342899 -2.29212989675687e+30
22 4.994759548659419 4.749525258342899 4.501332934257217 -1.727059826002986e+30
23 4.749525258342899 4.501332934257217 4.251162078117254 -1.155173839133207e+30
24 4.501332934257217 4.251162078117254 3.9999999999999996 -5.7872890887093385e+29
25 4.251162078117254 3.9999999999999996 3.748837921882746 5.185665163727483e+17
26 3.9999999999999996 3.748837921882746 3.498667065742782 5.787289088698967e+29
27 3.748837921882746 3.498667065742782 3.2504747416571003 1.1551738391342441e+30
28 3.498667065742782 3.2504747416571003 3.005240451340581 1.7270598260035044e+30
29 3.2504747416571003 3.005240451340581 2.76393202250021 2.2921298967563512e+30
30 3.005240451340581 2.76393202250021 2.5275017892612874 2.8481539779830014e+30
31 2.76393202250021 2.5275017892612874 2.2968828337397094 3.392937696657241e+30
32 2.5275017892612874 2.2968828337397094 2.0729853035931387 3.924331040325847e+30
33 2.2968828337397094 2.0729853035931387 1.856692820084013 4.440236842236708e+30
34 2.0729853035931387 1.856692820084013 1.6488589908301066 4.9386190578821097e+30
35 1.856692820084013 1.6488589908301066 1.4503040410052415 5.41751080034714e+30
36 1.6488589908301066 1.4503040410052415 1.2618115762852455 5.875022102705952e+30
37 1.4503040410052415 1.2618115762852455 1.0841254903143538 6.309347376869911e+30
38 1.2618115762852455 1.0841254903143538 0.9179470288968425 6.718772539403536e+30
39 1.0841254903143538 0.9179470288968425 0.7639320225002102 7.101681776239733e+30
40 0.9179470288968425 0.7639320225002102 0.6226882979919393 7.456563919553443e+30
41 0.7639320225002102 0.6226882979919393 0.49477327982454566 7.782018411658503e+30
42 0.6226882979919393 0.49477327982454566 0.38069179013592214 8.076760832357323e+30
43 0.49477327982454566 0.38069179013592214 0.28089405644699417 8.339627967972146e+30
44 0.38069179013592214 0.28089405644699417 0.19577393481938543 8.569582402011917e+30
45 0.28089405644699417 0.19577393481938543 0.12566735548547525 8.765716609379902e+30
46 0.19577393481938543 0.12566735548547525 0.07085099708524512 8.927256537965862e+30
47 0.12566735548547525 0.07085099708524512 0.03154119474208894 9.053564663472142e+30
48 0.07085099708524512 0.03154119474208894 0.007893086286913764 9.144142505431247e+30
49 0.03154119474208894 0.007893086286913764 0.0 9.198632594483866e+30
50 0.007893086286913764 0.0 0.007893086286913764 9.216819883140884e+30
51 0.0 0.007893086286913764 0.03154119474208894 9.198632594483866e+30
52 0.007893086286913764 0.03154119474208894 0.07085099708524556 9.144142505431506e+30
53 0.03154119474208894 0.07085099708524556 0.1256673554854757 9.053564663471882e+30
54 0.07085099708524556 0.1256673554854757 0.19577393481938588 8.927256537965862e+30
55 0.1256673554854757 0.19577393481938588 0.2808940564469946 8.765716609379902e+30
56 0.19577393481938588 0.2808940564469946 0.3806917901359226 8.569582402011917e+30
57 0.2808940564469946 0.3806917901359226 0.4947732798245452 8.339627967971627e+30
58 0.3806917901359226 0.4947732798245452 0.6226882979919393 8.076760832358101e+30
59 0.4947732798245452 0.6226882979919393 0.7639320225002102 7.782018411658244e+30
60 0.6226882979919393 0.7639320225002102 0.9179470288968425 7.456563919553443e+30
61 0.7639320225002102 0.9179470288968425 1.0841254903143538 7.101681776239733e+30
62 0.9179470288968425 1.0841254903143538 1.2618115762852455 6.718772539403536e+30
63 1.0841254903143538 1.2618115762852455 1.4503040410052415 6.309347376869911e+30
64 1.2618115762852455 1.4503040410052415 1.648858990830108 5.875022102706729e+30
65 1.4503040410052415 1.648858990830108 1.8566928200840138 5.417510800346104e+30
66 1.648858990830108 1.8566928200840138 2.072985303593139 4.9386190578821097e+30
67 1.8566928200840138 2.072985303593139 2.2968828337397103 4.440236842237227e+30
68 2.072985303593139 2.2968828337397103 2.527501789261289 3.924331040326365e+30
69 2.2968828337397103 2.527501789261289 2.763932022500212 3.392937696656722e+30
70 2.527501789261289 2.763932022500212 3.00524045134058 2.8481539779819645e+30
71 2.763932022500212 3.00524045134058 3.2504747416571003 2.2921298967584257e+30
72 3.00524045134058 3.2504747416571003 3.498667065742782 1.7270598260035044e+30
73 3.2504747416571003 3.498667065742782 3.748837921882746 1.1551738391342441e+30
74 3.498667065742782 3.748837921882746 3.9999999999999996 5.787289088698967e+29
75 3.748837921882746 3.9999999999999996 4.251162078117254 5.185665163727483e+17
76 3.9999999999999996 4.251162078117254 4.501332934257217 -5.7872890887093385e+29
77 4.251162078117254 4.501332934257217 4.749525258342899 -1.155173839133207e+30
78 4.501332934257217 4.749525258342899 4.994759548659419 -1.727059826002986e+30
79 4.749525258342899 4.994759548659419 5.23606797749979 -2.29212989675687e+30
80 4.994759548659419 5.23606797749979 5.472498210738713 -2.8481539779830014e+30
81 5.23606797749979 5.472498210738713 5.703117166260291 -3.392937696656722e+30
82 5.472498210738713 5.703117166260291 5.927014696406862 -3.924331040325847e+30
83 5.703117166260291 5.927014696406862 6.143307179915986 -4.440236842237227e+30
84 5.927014696406862 6.143307179915986 6.351141009169892 -4.9386190578813317e+30
85 6.143307179915986 6.351141009169892 6.549695958994759 -5.417510800345326e+30
86 6.351141009169892 6.549695958994759 6.738188423714755 -5.875022102707248e+30
87 6.549695958994759 6.738188423714755 6.915874509685645 -6.309347376870689e+30
88 6.738188423714755 6.915874509685645 7.082052971103156 -6.718772539403018e+30
89 6.915874509685645 7.082052971103156 7.23606797749979 -7.101681776238697e+30
90 7.082052971103156 7.23606797749979 7.37731170200806 -7.456563919553962e+30
91 7.23606797749979 7.37731170200806 7.505226720175454 -7.782018411658244e+30
92 7.37731170200806 7.505226720175454 7.619308209864078 -8.076760832357323e+30
93 7.505226720175454 7.619308209864078 7.719105943553005 -8.339627967973184e+30
94 7.619308209864078 7.719105943553005 7.804226065180615 -8.56958240201114e+30
95 7.719105943553005 7.804226065180615 7.874332644514524 -8.76571660938042e+30
96 7.804226065180615 7.874332644514524 7.929149002914754 -8.927256537965084e+30
97 7.874332644514524 7.929149002914754 7.968458805257911 -9.053564663472401e+30
98 7.929149002914754 7.968458805257911 7.992106913713086 -9.144142505431506e+30
99 7.968458805257911 7.992106913713086 8.0 -9.198632594484385e+30

Differentiate for nskip =  4
i    E[i-1]  E[i]    E[i+1]  1.0/m*
4 7.929149002914754 7.874332644514524 7.804226065180615 -8.883286271735104e+30
8 7.619308209864077 7.505226720175454 7.37731170200806 -8.03697959356699e+30
12 7.082052971103156 6.915874509685645 6.738188423714755 -6.685679929591704e+30
16 6.351141009169892 6.143307179915986 5.92701469640686 -4.9142944074294204e+30
20 5.472498210738712 5.23606797749979 4.994759548659419 -2.8341256941377497e+30
24 4.501332934257217 4.251162078117254 3.9999999999999996 -5.7587844029826e+29
28 3.498667065742782 3.2504747416571003 3.005240451340581 1.7185533738781174e+30
32 2.5275017892612874 2.2968828337397094 2.0729853035931387 3.905002159176265e+30
36 1.6488589908301066 1.4503040410052415 1.2618115762852455 5.846085297220168e+30
40 0.9179470288968425 0.7639320225002102 0.6226882979919393 7.419837395642016e+30
44 0.38069179013592214 0.28089405644699417 0.19577393481938543 8.527373822242551e+30
48 0.07085099708524512 0.03154119474208894 0.007893086286913764 9.099103990104392e+30
52 0.007893086286913764 0.03154119474208894 0.07085099708524556 9.099103990104408e+30
56 0.19577393481938588 0.2808940564469946 0.3806917901359226 8.527373822242518e+30
60 0.6226882979919393 0.7639320225002102 0.9179470288968425 7.419837395642032e+30
64 1.2618115762852455 1.4503040410052415 1.648858990830108 5.846085297220201e+30
68 2.072985303593139 2.2968828337397103 2.527501789261289 3.9050021591762003e+30
72 3.00524045134058 3.2504747416571003 3.498667065742782 1.71855337387815e+30
76 3.9999999999999996 4.251162078117254 4.501332934257217 -5.7587844029826e+29
80 4.994759548659419 5.23606797749979 5.472498210738713 -2.8341256941377497e+30
84 5.927014696406862 6.143307179915986 6.351141009169892 -4.9142944074294204e+30
88 6.738188423714755 6.915874509685645 7.082052971103156 -6.685679929591704e+30
92 7.37731170200806 7.505226720175454 7.619308209864078 -8.03697959356699e+30
96 7.804226065180615 7.874332644514524 7.929149002914754 -8.883286271735104e+30
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生成されたデータファイル

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