Input 16-bomd.02-td.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010823424962837e-09 | PASS |
| Energy [step 2] | -1.058158908445420e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217472345160786e-09 | PASS |
| Energy [step 3] | -1.058145774227828e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509944252437890e-09 | PASS |
| Energy [step 4] | -1.058134610389359e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.520890411503387e-09 | PASS |
| Forces [step 1] | -1.538478572155713e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994381313400e-07 | PASS |
| Forces [step 2] | -1.732216535539171e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557388450098792e-08 | PASS |
| Forces [step 3] | -1.918267217589918e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.698263478484453e-07 | PASS |
| Forces [step 4] | -2.092292076507661e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.252411203078729e-07 | PASS |