Input 14-silicon_shifts.02-td.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run intel-parallel-debug: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226261456830336e-02 1.226258909460747e-02 7.880000000000000e-08 2.547369588878912e-08 PASS
Projections [step 100] 9.400425724108444e-01 9.400425513188146e-01 3.650000000000000e-08 2.109202978939351e-08 PASS
Projections [step 100] -3.410433113655670e-01 -3.410433695125176e-01 1.010000000000000e-07 5.814695064332298e-08 PASS
Stress (11) [step 100] 8.567578471999999e-05 8.567591270000000e-05 1.560000000000000e-10 -1.279800000106605e-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] 8.428677622000000e-05 8.428682922000001e-05 5.260000000000000e-11 -5.300000000506289e-11 FAIL
Stress (23) [step 100] 6.471918793000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.825799999851350e-11 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471918793000000e-06 6.471860535000001e-06 9.190000000000000e-11 5.825799999851350e-11 PASS
Stress (33) [step 100] 8.428677622000000e-05 8.428682922000001e-05 5.260000000000000e-11 -5.300000000506289e-11 FAIL
Number of excited electrons [step 100] 6.185357776050671e-05 6.185436383068788e-05 1.050000000000000e-09 -7.860701811690518e-10 PASS
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