Input 14-silicon_shifts.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265826314708e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 6.916853960599323e-08 | PASS |
| Projections [step 100] | 9.400425764463332e-01 | 9.400425513188146e-01 | 3.300000000000000e-08 | 2.512751851035944e-08 | PASS |
| Projections [step 100] | -3.410433002362997e-01 | -3.410433695125176e-01 | 9.110000000000000e-08 | 6.927621792884864e-08 | PASS |
| Stress (11) [step 100] | 8.567585427999999e-05 | 8.567591272000001e-05 | 1.110000000000000e-10 | -5.844000001802019e-11 | PASS |
| Stress (11) [step 0] | -5.966737999000000e-04 | -5.966737806000000e-04 | 2.130000000000000e-11 | -1.929999996624909e-11 | PASS |
| Stress (12) [step 0] | -4.924430717000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.390000001258172e-14 | PASS |
| Stress (13) [step 0] | -4.924430717000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.390000001258172e-14 | PASS |
| Stress (21) [step 0] | -4.924430717000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.390000001258172e-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] | -4.924430717000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.390000001258172e-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] | -4.723728953000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.666459999996199e-11 | PASS |
| Stress (13) [step 100] | -4.723728953000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.666459999996199e-11 | PASS |
| Stress (21) [step 100] | -4.723728953000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.666459999996199e-11 | PASS |
| Stress (22) [step 100] | 8.428687800000000e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | -7.885999999172021e-11 | PASS |
| Stress (23) [step 100] | 6.471918108000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 5.757299999867565e-11 | PASS |
| Stress (31) [step 100] | -4.723728953000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.666459999996199e-11 | PASS |
| Stress (32) [step 100] | 6.471918108000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 5.757299999867565e-11 | PASS |
| Stress (33) [step 100] | 8.428687800000000e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | -7.885999999172021e-11 | PASS |
| Number of excited electrons [step 100] | 6.185397343111410e-05 | 6.185436383068788e-05 | 8.480000000000000e-10 | -3.903995737797317e-10 | PASS |