Input 14-silicon_shifts.02-td.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Total current [step 100] 1.226265917083833e-02 1.226258909460747e-02 7.880000000000000e-08 7.007623085628079e-08 PASS
Projections [step 100] 9.400425793484419e-01 9.400425513188146e-01 3.650000000000000e-08 2.802962728587488e-08 PASS
Projections [step 100] -3.410432921732336e-01 -3.410433695125176e-01 1.010000000000000e-07 7.733928403252932e-08 PASS
Stress (11) [step 100] 8.567584128000000e-05 8.567591270000000e-05 1.560000000000000e-10 -7.142000000030704e-11 PASS
Stress (11) [step 0] -5.966738508000000e-04 -5.966738591000001e-04 9.700000000000000e-11 8.300000010202924e-12 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] -5.980850799000000e-04 -5.980850990000000e-04 9.480000000000000e-11 1.910000001041634e-11 PASS
Stress (23) [step 0] 6.403039088000000e-06 6.403005440000001e-06 3.700000000000000e-11 3.364799999923813e-11 PASS
Stress (31) [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 0] 6.403039088000000e-06 6.403005440000001e-06 3.700000000000000e-11 3.364799999923813e-11 PASS
Stress (33) [step 0] -5.980850799000000e-04 -5.980850990000000e-04 9.480000000000000e-11 1.910000001041634e-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] 8.428683379000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.569999990954900e-12 PASS
Stress (23) [step 100] 6.471871137000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.060199999843638e-11 PASS
Stress (31) [step 100] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Stress (32) [step 100] 6.471871137000000e-06 6.471860535000001e-06 9.190000000000000e-11 1.060199999843638e-11 PASS
Stress (33) [step 100] 8.428683379000000e-05 8.428682922000001e-05 6.710000000000001e-11 4.569999990954900e-12 PASS
Number of excited electrons [step 100] 6.185379755263565e-05 6.185436383068788e-05 1.050000000000000e-09 -5.662780522275312e-10 PASS
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