Input 14-silicon_shifts.02-td.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265874093968e-02 1.226258909460747e-02 7.880000000000000e-08 6.964633220314653e-08 PASS
Projections [step 100] 9.400425756724506e-01 9.400425513188146e-01 3.300000000000000e-08 2.435363599673224e-08 PASS
Projections [step 100] -3.410433023546923e-01 -3.410433695125176e-01 9.110000000000000e-08 6.715782530086756e-08 PASS
Stress (11) [step 100] 8.567585823000000e-05 8.567591272000001e-05 1.110000000000000e-10 -5.449000000940906e-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] -4.723659622000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.359769999998665e-11 PASS
Stress (13) [step 100] -4.723659622000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.359769999998665e-11 PASS
Stress (21) [step 100] -4.723659622000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.359769999998665e-11 PASS
Stress (22) [step 100] 8.428683454000000e-05 8.428695685999999e-05 1.350000000000000e-10 -1.223199999947876e-10 PASS
Stress (23) [step 100] 6.471927316000000e-06 6.471860535000001e-06 9.190000000000000e-11 6.678099999904332e-11 PASS
Stress (31) [step 100] -4.723659622000000e-07 -4.723895599000000e-07 6.020000000000000e-11 2.359769999998665e-11 PASS
Stress (32) [step 100] 6.471927316000000e-06 6.471860535000001e-06 9.190000000000000e-11 6.678099999904332e-11 PASS
Stress (33) [step 100] 8.428683454000000e-05 8.428695685999999e-05 1.350000000000000e-10 -1.223199999947876e-10 PASS
Number of excited electrons [step 100] 6.185402644998117e-05 6.185436383068788e-05 8.480000000000000e-10 -3.373807067053036e-10 PASS
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