Input 14-silicon_shifts.02-td.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265180913893e-02 1.226258909460747e-02 7.880000000000000e-08 6.271453145342831e-08 PASS
Projections [step 100] 9.400425796135792e-01 9.400425513188146e-01 3.650000000000000e-08 2.829476453136692e-08 PASS
Projections [step 100] -3.410432915249577e-01 -3.410433695125176e-01 1.010000000000000e-07 7.798755996546447e-08 PASS
Stress (11) [step 100] 8.567587127000000e-05 8.567591270000000e-05 1.560000000000000e-10 -4.143000000142102e-11 PASS
Stress (11) [step 0] -5.966738345000000e-04 -5.966738591000001e-04 9.700000000000000e-11 2.460000009685964e-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] -5.980850727000000e-04 -5.980850990000000e-04 9.480000000000000e-11 2.629999993827847e-11 PASS
Stress (23) [step 0] 6.402971791000000e-06 6.403005440000001e-06 3.700000000000000e-11 -3.364900000040643e-11 PASS
Stress (31) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 0] 6.402971791000000e-06 6.403005440000001e-06 3.700000000000000e-11 -3.364900000040643e-11 PASS
Stress (33) [step 0] -5.980850727000000e-04 -5.980850990000000e-04 9.480000000000000e-11 2.629999993827847e-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] 8.428687622000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.699999998838012e-11 PASS
Stress (23) [step 100] 6.471861689000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.153999998892172e-12 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471861689000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.153999998892172e-12 PASS
Stress (33) [step 100] 8.428687622000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.699999998838012e-11 PASS
Number of excited electrons [step 100] 6.185365623534445e-05 6.185436383068788e-05 1.050000000000000e-09 -7.075953434299009e-10 PASS
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