Input 14-silicon_shifts.02-td.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226266028747164e-02 1.226258909460747e-02 7.880000000000000e-08 7.119286417160697e-08 PASS
Projections [step 100] 9.400425753342530e-01 9.400425513188146e-01 3.300000000000000e-08 2.401543830465869e-08 PASS
Projections [step 100] -3.410433032855084e-01 -3.410433695125176e-01 9.110000000000000e-08 6.622700926550706e-08 PASS
Stress (11) [step 100] 8.567586583000000e-05 8.567591272000001e-05 1.110000000000000e-10 -4.689000000725110e-11 PASS
Stress (11) [step 0] -5.966737999000000e-04 -5.966737806000000e-04 2.130000000000000e-11 -1.929999996624909e-11 PASS
Stress (12) [step 0] -4.924430718000000e-07 -4.924430478000000e-07 2.640000000000000e-14 -2.399999998118073e-14 PASS
Stress (13) [step 0] -4.924430718000000e-07 -4.924430478000000e-07 2.640000000000000e-14 -2.399999998118073e-14 PASS
Stress (21) [step 0] -4.924430718000000e-07 -4.924430478000000e-07 2.640000000000000e-14 -2.399999998118073e-14 PASS
Stress (22) [step 0] -5.980850432000000e-04 -5.980850222000000e-04 2.300000000000000e-11 -2.100000002450836e-11 PASS
Stress (23) [step 0] 6.403008590000000e-06 6.403011026000000e-06 2.680000000000000e-12 -2.435999999942729e-12 PASS
Stress (31) [step 0] -4.924430718000000e-07 -4.924430478000000e-07 2.640000000000000e-14 -2.399999998118073e-14 PASS
Stress (32) [step 0] 6.403008590000000e-06 6.403011026000000e-06 2.680000000000000e-12 -2.435999999942729e-12 PASS
Stress (33) [step 0] -5.980850432000000e-04 -5.980850222000000e-04 2.300000000000000e-11 -2.100000002450836e-11 PASS
Stress (12) [step 100] -4.723679407000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.161919999995650e-11 PASS
Stress (13) [step 100] -4.723679407000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.161919999995650e-11 PASS
Stress (21) [step 100] -4.723679407000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.161919999995650e-11 PASS
Stress (22) [step 100] 8.428684670000000e-05 8.428695685999999e-05 1.350000000000000e-10 -1.101599999913348e-10 PASS
Stress (23) [step 100] 6.471941565000000e-06 6.471860535000001e-06 9.190000000000000e-11 8.102999999853308e-11 PASS
Stress (31) [step 100] -4.723679407000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.161919999995650e-11 PASS
Stress (32) [step 100] 6.471941565000000e-06 6.471860535000001e-06 9.190000000000000e-11 8.102999999853308e-11 PASS
Stress (33) [step 100] 8.428684670000000e-05 8.428695685999999e-05 1.350000000000000e-10 -1.101599999913348e-10 PASS
Number of excited electrons [step 100] 6.185403025499303e-05 6.185436383068788e-05 8.480000000000000e-10 -3.335756948441571e-10 PASS
Compare to other inputs