Input 10-bomd.03-td_restart.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_opt_autotools: [foss2023a-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 |