Input 14-silicon_shifts.02-td.inp

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265876960870e-02 1.226258909460747e-02 7.880000000000000e-08 6.967500122342929e-08 PASS
Projections [step 100] 9.400425763327592e-01 9.400425513188146e-01 3.300000000000000e-08 2.501394458231943e-08 PASS
Projections [step 100] -3.410433005455368e-01 -3.410433695125176e-01 9.110000000000000e-08 6.896698084846165e-08 PASS
Stress (11) [step 100] 8.567587115000001e-05 8.567591272000001e-05 1.110000000000000e-10 -4.157000000574052e-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] 6.403008586000000e-06 6.403011026000000e-06 2.680000000000000e-12 -2.440000000380755e-12 PASS
Stress (31) [step 0] -4.924430718000000e-07 -4.924430478000000e-07 2.640000000000000e-14 -2.399999998118073e-14 PASS
Stress (32) [step 0] 6.403008586000000e-06 6.403011026000000e-06 2.680000000000000e-12 -2.440000000380755e-12 PASS
Stress (33) [step 0] -5.980850432000000e-04 -5.980850222000000e-04 2.300000000000000e-11 -2.100000002450836e-11 PASS
Stress (12) [step 100] -4.723650400000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.451989999998615e-11 PASS
Stress (13) [step 100] -4.723650400000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.451989999998615e-11 PASS
Stress (21) [step 100] -4.723650400000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.451989999998615e-11 PASS
Stress (22) [step 100] 8.428686784000000e-05 8.428695685999999e-05 1.350000000000000e-10 -8.901999998961203e-11 PASS
Stress (23) [step 100] 6.471910371000000e-06 6.471860535000001e-06 9.190000000000000e-11 4.983599999909121e-11 PASS
Stress (31) [step 100] -4.723650400000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.451989999998615e-11 PASS
Stress (32) [step 100] 6.471910371000000e-06 6.471860535000001e-06 9.190000000000000e-11 4.983599999909121e-11 PASS
Stress (33) [step 100] 8.428686784000000e-05 8.428695685999999e-05 1.350000000000000e-10 -8.901999998961203e-11 PASS
Number of excited electrons [step 100] 6.185399470393094e-05 6.185436383068788e-05 8.480000000000000e-10 -3.691267569383427e-10 PASS
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