Input 10-bomd.03-td_restart.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717953e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.882452024432496e-09 | PASS |
| Energy [step 2] | -1.058226791345313e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.346351083015179e-09 | PASS |
| Energy [step 3] | -1.058222763850984e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.438570317371159e-09 | PASS |
| Energy [step 4] | -1.058219875427624e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.472209269579253e-10 | PASS |
| Forces [step 1] | -2.249842024192954e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.037123301128595e-08 | PASS |
| Forces [step 2] | -2.378810644193586e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.223107346237651e-07 | PASS |
| Forces [step 3] | -2.490659557525242e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 8.648846387959708e-07 | PASS |
| Forces [step 4] | -2.574366489902155e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 6.573526231123950e-07 | PASS |