Input 14-silicon_shifts.02-td.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265967307552e-02 1.226253233338715e-02 1.200000000000000e-07 1.273396883667843e-07 FAIL
Number of excited electrons [step 100] 6.185372042771808e-05 6.185219895782357e-05 3.230000000000000e-09 1.521469894516514e-09 PASS
Projections [step 100] 9.400425814385216e-01 9.400425766754038e-01 5.860000000000000e-08 4.763117789075011e-09 PASS
Projections [step 100] -3.410432864625635e-01 -3.410432996471690e-01 1.610000000000000e-07 1.318460546295697e-08 PASS
Stress (11) [step 0] -5.966737528000000e-04 -5.966738236000000e-04 6.870000000000001e-11 7.079999997730568e-11 FAIL
Stress (12) [step 0] -4.924430189000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.780000002810913e-14 PASS
Stress (13) [step 0] -4.924430189000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.780000002810913e-14 PASS
Stress (21) [step 0] -4.924430189000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.780000002810913e-14 PASS
Stress (22) [step 0] -5.980849908000000e-04 -5.980850652000001e-04 7.030000000000001e-11 7.440000004965697e-11 FAIL
Stress (23) [step 0] 6.402874675000000e-06 6.403016191000001e-06 3.000000000000000e-12 -1.415160000013170e-10 FAIL
Stress (31) [step 0] -4.924430189000000e-07 -4.924430967000000e-07 8.020000000000000e-14 7.780000002810913e-14 PASS
Stress (32) [step 0] 6.402874675000000e-06 6.403016191000001e-06 3.000000000000000e-12 -1.415160000013170e-10 FAIL
Stress (33) [step 0] -5.980849908000000e-04 -5.980850652000001e-04 7.030000000000001e-11 7.440000004965697e-11 FAIL
Stress (11) [step 100] 8.567584705000000e-05 8.567603242000000e-05 1.730000000000000e-10 -1.853700000030607e-10 FAIL
Stress (12) [step 100] -4.723603594000000e-07 -4.723615272000000e-07 8.340000000000000e-11 1.167800000011610e-12 PASS
Stress (13) [step 100] -4.723603594000000e-07 -4.723615272000000e-07 8.340000000000000e-11 1.167800000011610e-12 PASS
Stress (21) [step 100] -4.723603594000000e-07 -4.723615272000000e-07 8.340000000000000e-11 1.167800000011610e-12 PASS
Stress (22) [step 100] 8.428684270999999e-05 8.428702032000000e-05 1.890000000000000e-10 -1.776100000037105e-10 PASS
Stress (23) [step 100] 6.471843696000000e-06 6.471775690500000e-06 1.170000000000000e-10 6.800549999940884e-11 PASS
Stress (31) [step 100] -4.723603594000000e-07 -4.723615272000000e-07 8.340000000000000e-11 1.167800000011610e-12 PASS
Stress (32) [step 100] 6.471843696000000e-06 6.471775690500000e-06 1.170000000000000e-10 6.800549999940884e-11 PASS
Stress (33) [step 100] 8.428684270999999e-05 8.428702032000000e-05 1.890000000000000e-10 -1.776100000037105e-10 PASS
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