Input 14-silicon_shifts.02-td.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226264071619148e-02 1.226253233338715e-02 1.200000000000000e-07 1.083828043285662e-07 PASS
Number of excited electrons [step 100] 6.185347365605942e-05 6.185219895782357e-05 3.230000000000000e-09 1.274698235853577e-09 PASS
Projections [step 100] 9.400425820164708e-01 9.400425766754038e-01 5.860000000000000e-08 5.341067033093339e-09 PASS
Projections [step 100] -3.410432849180409e-01 -3.410432996471690e-01 1.610000000000000e-07 1.472912808386795e-08 PASS
Stress (11) [step 0] -5.966738861000001e-04 -5.966738236000000e-04 6.870000000000001e-11 -6.250000007552298e-11 PASS
Stress (12) [step 0] -4.924431696000000e-07 -4.924430967000000e-07 8.020000000000000e-14 -7.289999997857067e-14 PASS
Stress (13) [step 0] -4.924431696000000e-07 -4.924430967000000e-07 8.020000000000000e-14 -7.289999997857067e-14 PASS
Stress (21) [step 0] -4.924431696000000e-07 -4.924430967000000e-07 8.020000000000000e-14 -7.289999997857067e-14 PASS
Stress (22) [step 0] -5.980851292000000e-04 -5.980850652000001e-04 7.030000000000001e-11 -6.399999996110906e-11 PASS
Stress (23) [step 0] 6.403018911000000e-06 6.403016191000001e-06 3.000000000000000e-12 2.719999998855355e-12 PASS
Stress (31) [step 0] -4.924431696000000e-07 -4.924430967000000e-07 8.020000000000000e-14 -7.289999997857067e-14 PASS
Stress (32) [step 0] 6.403018911000000e-06 6.403016191000001e-06 3.000000000000000e-12 2.719999998855355e-12 PASS
Stress (33) [step 0] -5.980851292000000e-04 -5.980850652000001e-04 7.030000000000001e-11 -6.399999996110906e-11 PASS
Stress (11) [step 100] 8.567590352000000e-05 8.567603242000000e-05 1.730000000000000e-10 -1.289000000080686e-10 PASS
Stress (12) [step 100] -4.723524544000000e-07 -4.723615272000000e-07 8.340000000000000e-11 9.072799999993707e-12 PASS
Stress (13) [step 100] -4.723524544000000e-07 -4.723615272000000e-07 8.340000000000000e-11 9.072799999993707e-12 PASS
Stress (21) [step 100] -4.723524544000000e-07 -4.723615272000000e-07 8.340000000000000e-11 9.072799999993707e-12 PASS
Stress (22) [step 100] 8.428691035000000e-05 8.428702032000000e-05 1.890000000000000e-10 -1.099699999980571e-10 PASS
Stress (23) [step 100] 6.471854948000000e-06 6.471775690500000e-06 1.170000000000000e-10 7.925749999999134e-11 PASS
Stress (31) [step 100] -4.723524544000000e-07 -4.723615272000000e-07 8.340000000000000e-11 9.072799999993707e-12 PASS
Stress (32) [step 100] 6.471854948000000e-06 6.471775690500000e-06 1.170000000000000e-10 7.925749999999134e-11 PASS
Stress (33) [step 100] 8.428691035000000e-05 8.428702032000000e-05 1.890000000000000e-10 -1.099699999980571e-10 PASS
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