Coverage for /builds/kinetik161/ase/ase/dft/pars_mbeef.py: 100.00%
3 statements
« prev ^ index » next coverage.py v7.2.7, created at 2023-12-10 11:04 +0000
« prev ^ index » next coverage.py v7.2.7, created at 2023-12-10 11:04 +0000
1import numpy as np
3# flake8: noqa
4"""
5mBEEF ensemble matrix
6"""
7uiOmega = np.array([
8 [+3.97526822e+00, +9.89942369e+00, +1.07326424e+01, +6.75380818e+00,
9 +1.77302640e+00, -6.84112187e-01, -6.54206764e-01, -1.39507729e-01,
10 -4.36967834e+00, -1.16814935e+01, -1.39547031e+01, -9.53518416e+00,
11 -2.62228452e+00, +1.14105816e+00, +1.16365187e+00, +2.82352691e-01,
12 -9.81697534e-01, -1.41339774e+00, +6.15364041e-01, +2.54529066e+00,
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23 -2.68193558e-05, +2.04396573e-05, -6.98162678e-06, -4.44246376e-06],
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40 -7.40137176e-05, +6.59539212e-05, -2.88277013e-05, +7.01714628e-06],
42 [+1.07326424e+01, +2.72961422e+01, +3.08517093e+01, +2.09243877e+01,
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57 -8.70430417e-05, +8.92952512e-05, -4.41152932e-05, +3.28087412e-05],
59 [+6.75380817e+00, +1.75339421e+01, +2.09243877e+01, +1.59716063e+01,
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74 -3.38221017e-05, +4.08127877e-05, -1.79855445e-05, +2.01134776e-05],
76 [+1.77302640e+00, +4.84077677e+00, +6.78971085e+00, +7.13399329e+00,
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93 [-6.84112191e-01, -1.66256297e+00, -1.20198676e+00, +8.71480558e-01,
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110 [-6.54206766e-01, -1.69903464e+00, -1.78013092e+00, -6.47324656e-01,
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