Input 10-bomd.03-td_restart.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138808e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.908996124683654e-09 | PASS |
| Energy [step 2] | -1.058226789868530e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.421476766467094e-09 | PASS |
| Energy [step 3] | -1.058222762683767e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.233596915374619e-09 | PASS |
| Energy [step 4] | -1.058219874467927e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 9.149745849867941e-09 | PASS |
| Forces [step 1] | -2.249842232061838e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041565542148071e-08 | PASS |
| Forces [step 2] | -2.378813083616539e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.216315606844542e-07 | PASS |
| Forces [step 3] | -2.490665834208286e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.372163343811184e-07 | PASS |
| Forces [step 4] | -2.574361673758492e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 1.138966989389090e-06 | PASS |