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

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Polarizability xx 4.867883200000000e+01 4.867881000000000e+01 2.430000000000000e-05 2.200000000129876e-05 PASS
Polarizability yy 2.701220700000000e+01 2.701219700000000e+01 1.350000000000000e-05 9.999999999621423e-06 PASS
Polarizability zz 2.701218900000000e+01 2.701218100000000e+01 1.350000000000000e-05 7.999999997565510e-06 PASS
Born charge xx 2.294000000000000e-03 2.294000000000000e-03 1.150000000000000e-05 0.000000000000000e+00 PASS
Born charge yy 4.827000000000000e-03 4.827000000000001e-03 2.410000000000000e-11 -8.673617379884035e-19 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 -7.535513800000000e-02 -2.516956100000000e-02 5.520000000000000e-02 -5.018557700000000e-02 PASS
beta zxy -2.426170700000000e-02 -1.845530800000000e-02 6.390000000000000e-03 -5.806399000000000e-03 PASS
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