Input 10-bomd.03-td_restart.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138836e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908715460303029e-09 | PASS |
| Energy [step 2] | -1.058226789868835e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.418428538130684e-09 | PASS |
| Energy [step 3] | -1.058222762740212e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 7.669147095157314e-09 | PASS |
| Energy [step 4] | -1.058219874576435e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.064665379947655e-09 | PASS |
| Forces [step 1] | -2.249842232079542e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041742583862693e-08 | PASS |
| Forces [step 2] | -2.378813081533640e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.214232707991147e-07 | PASS |
| Forces [step 3] | -2.490672131973005e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | -3.925601374521470e-07 | PASS |
| Forces [step 4] | -2.574373675759618e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -6.123312318306873e-08 | PASS |