Input 14-silicon_shifts.02-td.inp

Commits > Commit 008ad309696fa333cadd72656d8ad6622d802226 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265203844323e-02 1.226258909460747e-02 7.880000000000000e-08 6.294383575813911e-08 PASS
Projections [step 100] 9.400425796326709e-01 9.400425513188146e-01 3.650000000000000e-08 2.831385625956528e-08 PASS
Projections [step 100] -3.410432914716647e-01 -3.410433695125176e-01 1.010000000000000e-07 7.804085289109253e-08 PASS
Stress (11) [step 100] 8.567587055000000e-05 8.567591270000000e-05 1.560000000000000e-10 -4.215000000233875e-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] 8.428687664000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.741999998778609e-11 PASS
Stress (23) [step 100] 6.471861893000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.357999999208664e-12 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471861893000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.357999999208664e-12 PASS
Stress (33) [step 100] 8.428687664000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.741999998778609e-11 PASS
Number of excited electrons [step 100] 6.185365223654316e-05 6.185436383068788e-05 1.050000000000000e-09 -7.115941447199958e-10 PASS
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