Input 14-silicon_shifts.02-td.inp

Commits > Commit 0043f87fd1086e2efddabd576c31b5184d964264 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226253718279662e-02 1.226253233338715e-02 1.200000000000000e-07 4.849409471208155e-09 PASS
Number of excited electrons [step 100] 6.185495628130422e-05 6.185219895782357e-05 3.230000000000000e-09 2.757323480651053e-09 PASS
Projections [step 100] 9.400425243935652e-01 9.400425766754038e-01 5.860000000000000e-08 -5.228183863614788e-08 PASS
Projections [step 100] -3.410434437082258e-01 -3.410432996471690e-01 1.610000000000000e-07 -1.440610568059775e-07 PASS
Stress (11) [step 0] -5.966737612000000e-04 -5.966738236000000e-04 6.870000000000001e-11 6.239999998918638e-11 PASS
Stress (12) [step 0] -4.924430238000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.289999997857067e-14 PASS
Stress (13) [step 0] -4.924430238000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.289999997857067e-14 PASS
Stress (21) [step 0] -4.924430238000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.289999997857067e-14 PASS
Stress (22) [step 0] -5.980850013000000e-04 -5.980850652000001e-04 7.030000000000001e-11 6.390000009161290e-11 PASS
Stress (23) [step 0] 6.403013467000000e-06 6.403016191000001e-06 3.000000000000000e-12 -2.724000000987447e-12 PASS
Stress (31) [step 0] -4.924430238000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.289999997857067e-14 PASS
Stress (32) [step 0] 6.403013467000000e-06 6.403016191000001e-06 3.000000000000000e-12 -2.724000000987447e-12 PASS
Stress (33) [step 0] -5.980850013000000e-04 -5.980850652000001e-04 7.030000000000001e-11 6.390000009161290e-11 PASS
Stress (11) [step 100] 8.567589595999999e-05 8.567603242000000e-05 1.730000000000000e-10 -1.364600000109285e-10 PASS
Stress (12) [step 100] -4.723796572000000e-07 -4.723615272000000e-07 8.340000000000000e-11 -1.813000000001553e-11 PASS
Stress (13) [step 100] -4.723796572000000e-07 -4.723615272000000e-07 8.340000000000000e-11 -1.813000000001553e-11 PASS
Stress (21) [step 100] -4.723796572000000e-07 -4.723615272000000e-07 8.340000000000000e-11 -1.813000000001553e-11 PASS
Stress (22) [step 100] 8.428694038000000e-05 8.428702032000000e-05 1.890000000000000e-10 -7.993999999987306e-11 PASS
Stress (23) [step 100] 6.471775253000000e-06 6.471775690500000e-06 1.170000000000000e-10 -4.374999999459022e-13 PASS
Stress (31) [step 100] -4.723796572000000e-07 -4.723615272000000e-07 8.340000000000000e-11 -1.813000000001553e-11 PASS
Stress (32) [step 100] 6.471775253000000e-06 6.471775690500000e-06 1.170000000000000e-10 -4.374999999459022e-13 PASS
Stress (33) [step 100] 8.428694038000000e-05 8.428702032000000e-05 1.890000000000000e-10 -7.993999999987306e-11 PASS
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