Input 14-silicon_shifts.02-td.inp

Commits > Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226261381835521e-02 1.226258909460747e-02 7.880000000000000e-08 2.472374773659913e-08 PASS
Projections [step 100] 9.400425735826510e-01 9.400425513188146e-01 3.650000000000000e-08 2.226383633008311e-08 PASS
Projections [step 100] -3.410433081365019e-01 -3.410433695125176e-01 1.010000000000000e-07 6.137601571420959e-08 PASS
Stress (11) [step 100] 8.567578260000000e-05 8.567591270000000e-05 1.560000000000000e-10 -1.301000000005631e-10 PASS
Stress (11) [step 0] -5.966739473000000e-04 -5.966738591000001e-04 9.700000000000000e-11 -8.819999992946276e-11 PASS
Stress (12) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (13) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (21) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (22) [step 0] -5.980851850000000e-04 -5.980850990000000e-04 9.480000000000000e-11 -8.599999998162161e-11 PASS
Stress (23) [step 0] 6.403136219000000e-06 6.403092598000000e-06 4.800000000000000e-11 4.362099999973386e-11 PASS
Stress (31) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 0] 6.403136219000000e-06 6.403092598000000e-06 4.800000000000000e-11 4.362099999973386e-11 PASS
Stress (33) [step 0] -5.980851850000000e-04 -5.980850990000000e-04 9.480000000000000e-11 -8.599999998162161e-11 PASS
Stress (12) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (13) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (21) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (22) [step 100] 8.428678460000000e-05 8.428682922000001e-05 5.260000000000000e-11 -4.462000000981636e-11 PASS
Stress (23) [step 100] 6.471917838000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.730299999917853e-11 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471917838000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.730299999917853e-11 PASS
Stress (33) [step 100] 8.428678460000000e-05 8.428682922000001e-05 5.260000000000000e-11 -4.462000000981636e-11 PASS
Number of excited electrons [step 100] 6.185347122278362e-05 6.185436383068788e-05 1.050000000000000e-09 -8.926079042570478e-10 PASS
Compare to other inputs