Input 14-silicon_shifts.02-td.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226252754563503e-02 1.226258909460747e-02 7.880000000000000e-08 -6.154897243780544e-08 PASS
Projections [step 100] 9.400425206833163e-01 9.400425513188146e-01 3.300000000000000e-08 -3.063549836035406e-08 PASS
Projections [step 100] -3.410434539370141e-01 -3.410433695125176e-01 9.110000000000000e-08 -8.442449650480910e-08 PASS
Stress (11) [step 100] 8.567599392000000e-05 8.567591272000001e-05 1.110000000000000e-10 8.119999998453843e-11 PASS
Stress (11) [step 0] -5.966737612000000e-04 -5.966737806000000e-04 2.130000000000000e-11 1.940000005258569e-11 PASS
Stress (12) [step 0] -4.924430238000000e-07 -4.924430478000000e-07 2.640000000000000e-14 2.399999998118073e-14 PASS
Stress (13) [step 0] -4.924430238000000e-07 -4.924430478000000e-07 2.640000000000000e-14 2.399999998118073e-14 PASS
Stress (21) [step 0] -4.924430238000000e-07 -4.924430478000000e-07 2.640000000000000e-14 2.399999998118073e-14 PASS
Stress (22) [step 0] -5.980850013000000e-04 -5.980850222000000e-04 2.300000000000000e-11 2.090000004659198e-11 PASS
Stress (23) [step 0] 6.403013467000000e-06 6.403011026000000e-06 2.680000000000000e-12 2.440999999854987e-12 PASS
Stress (31) [step 0] -4.924430238000000e-07 -4.924430478000000e-07 2.640000000000000e-14 2.399999998118073e-14 PASS
Stress (32) [step 0] 6.403013467000000e-06 6.403011026000000e-06 2.680000000000000e-12 2.440999999854987e-12 PASS
Stress (33) [step 0] -5.980850013000000e-04 -5.980850222000000e-04 2.300000000000000e-11 2.090000004659198e-11 PASS
Stress (12) [step 100] -4.724281580000000e-07 -4.723895599000000e-07 6.020000000000000e-11 -3.859810000001041e-11 PASS
Stress (13) [step 100] -4.724281580000000e-07 -4.723895599000000e-07 6.020000000000000e-11 -3.859810000001041e-11 PASS
Stress (21) [step 100] -4.724281580000000e-07 -4.723895599000000e-07 6.020000000000000e-11 -3.859810000001041e-11 PASS
Stress (22) [step 100] 8.428707259000000e-05 8.428695685999999e-05 1.350000000000000e-10 1.157300000053990e-10 PASS
Stress (23) [step 100] 6.471790689000000e-06 6.471860535000001e-06 9.190000000000000e-11 -6.984600000116187e-11 PASS
Stress (31) [step 100] -4.724281580000000e-07 -4.723895599000000e-07 6.020000000000000e-11 -3.859810000001041e-11 PASS
Stress (32) [step 100] 6.471790689000000e-06 6.471860535000001e-06 9.190000000000000e-11 -6.984600000116187e-11 PASS
Stress (33) [step 100] 8.428707259000000e-05 8.428695685999999e-05 1.350000000000000e-10 1.157300000053990e-10 PASS
Number of excited electrons [step 100] 6.185519851459320e-05 6.185436383068788e-05 8.480000000000000e-10 8.346839053263722e-10 PASS
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