Input 14-silicon_shifts.02-td.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226264114399486e-02 1.226253233338715e-02 1.200000000000000e-07 1.088106077132972e-07 PASS
Number of excited electrons [step 100] 6.185348876858177e-05 6.185219895782357e-05 3.230000000000000e-09 1.289810758198229e-09 PASS
Projections [step 100] 9.400425817544641e-01 9.400425766754038e-01 5.860000000000000e-08 5.079060283463832e-09 PASS
Projections [step 100] -3.410432856378914e-01 -3.410432996471690e-01 1.610000000000000e-07 1.400927757133630e-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] 6.403018915000000e-06 6.403016191000001e-06 3.000000000000000e-12 2.723999998446348e-12 PASS
Stress (31) [step 0] -4.924431696000000e-07 -4.924430967000000e-07 8.020000000000000e-14 -7.289999997857067e-14 PASS
Stress (32) [step 0] 6.403018915000000e-06 6.403016191000001e-06 3.000000000000000e-12 2.723999998446348e-12 PASS
Stress (33) [step 0] -5.980851292000000e-04 -5.980850652000001e-04 7.030000000000001e-11 -6.399999996110906e-11 PASS
Stress (11) [step 100] 8.567590162000000e-05 8.567603242000000e-05 1.730000000000000e-10 -1.308000000086081e-10 PASS
Stress (12) [step 100] -4.723545362000000e-07 -4.723615272000000e-07 8.340000000000000e-11 6.991000000001760e-12 PASS
Stress (13) [step 100] -4.723545362000000e-07 -4.723615272000000e-07 8.340000000000000e-11 6.991000000001760e-12 PASS
Stress (21) [step 100] -4.723545362000000e-07 -4.723615272000000e-07 8.340000000000000e-11 6.991000000001760e-12 PASS
Stress (22) [step 100] 8.428690737999999e-05 8.428702032000000e-05 1.890000000000000e-10 -1.129400000035368e-10 PASS
Stress (23) [step 100] 6.471852392000000e-06 6.471775690500000e-06 1.170000000000000e-10 7.670149999961331e-11 PASS
Stress (31) [step 100] -4.723545362000000e-07 -4.723615272000000e-07 8.340000000000000e-11 6.991000000001760e-12 PASS
Stress (32) [step 100] 6.471852392000000e-06 6.471775690500000e-06 1.170000000000000e-10 7.670149999961331e-11 PASS
Stress (33) [step 100] 8.428690737999999e-05 8.428702032000000e-05 1.890000000000000e-10 -1.129400000035368e-10 PASS
Compare to other inputs