Input 05-polarizability.03-finite-diff.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]

Matches

Name Value Reference Precision Difference Status
Polarizability xx 4.867883400000000e+01 4.867881000000000e+01 2.430000000000000e-05 2.400000000335467e-05 PASS
Polarizability yy 2.701220900000000e+01 2.701219700000000e+01 1.350000000000000e-05 1.199999999812462e-05 PASS
Polarizability zz 2.701219100000000e+01 2.701218100000000e+01 1.350000000000000e-05 9.999999999621423e-06 PASS
Born charge xx 2.294000000000000e-03 2.294000000000000e-03 1.150000000000000e-05 0.000000000000000e+00 PASS
Born charge yy 4.827000000000000e-03 4.826500000000000e-03 5.500000000000000e-07 4.999999999996327e-07 PASS
Born charge zz 4.827000000000000e-03 4.827000000000001e-03 2.410000000000000e-11 -8.673617379884035e-19 PASS
Born charge diff 3.982000000000000e-03 3.982000000000000e-03 1.990000000000000e-05 0.000000000000000e+00 PASS
beta xxx -7.534222700000000e-02 -2.516956100000000e-02 5.520000000000000e-02 -5.017266599999999e-02 PASS
beta zxy -2.426051600000000e-02 -1.845530800000000e-02 6.390000000000000e-03 -5.805207999999999e-03 PASS
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