Input 14-silicon_shifts.02-td.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226261591344492e-02 1.226258909460747e-02 7.880000000000000e-08 2.681883745289659e-08 PASS
Projections [step 100] 9.400425720200982e-01 9.400425513188146e-01 3.650000000000000e-08 2.070128357622991e-08 PASS
Projections [step 100] -3.410433124399633e-01 -3.410433695125176e-01 1.010000000000000e-07 5.707255434916902e-08 PASS
Stress (11) [step 100] 8.567578516000000e-05 8.567591270000000e-05 1.560000000000000e-10 -1.275400000048292e-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] 6.403136223000000e-06 6.403092598000000e-06 4.800000000000000e-11 4.362500000017189e-11 PASS
Stress (31) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 0] 6.403136223000000e-06 6.403092598000000e-06 4.800000000000000e-11 4.362500000017189e-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] 8.428678149000000e-05 8.428682922000001e-05 5.260000000000000e-11 -4.773000000606303e-11 PASS
Stress (23) [step 100] 6.471917114000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.657899999866981e-11 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471917114000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.657899999866981e-11 PASS
Stress (33) [step 100] 8.428678149000000e-05 8.428682922000001e-05 5.260000000000000e-11 -4.773000000606303e-11 PASS
Number of excited electrons [step 100] 6.185359661503576e-05 6.185436383068788e-05 1.050000000000000e-09 -7.672156521199014e-10 PASS
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