Input 10-bomd.03-td_restart.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198643400e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.136923940720408e-09 | PASS |
| Energy [step 2] | -1.058226791295459e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.847812983323820e-09 | PASS |
| Energy [step 3] | -1.058222764045888e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.387606805129508e-09 | PASS |
| Energy [step 4] | -1.058219875790693e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.077909565580740e-09 | PASS |
| Forces [step 1] | -2.249842031515953e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.638933068378819e-09 | PASS |
| Forces [step 2] | -2.378811164168967e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.031319651518153e-08 | PASS |
| Forces [step 3] | -2.490665687344780e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.519026850167361e-07 | PASS |
| Forces [step 4] | -2.574372453563030e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 6.098653559938327e-08 | PASS |