Input 10-bomd.03-td_restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_intel_mpi_omp: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125197138701e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | 7.910072596928330e-09 | PASS |
| Energy [step 2] | -1.058226789868793e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | 7.418847758344782e-09 | PASS |
| Energy [step 3] | -1.058222762697865e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | 8.092619907529297e-09 | PASS |
| Energy [step 4] | -1.058219874492737e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | 8.901649195536265e-09 | PASS |
| Forces [step 1] | -2.249842232055177e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | -1.041498928766593e-08 | PASS |
| Forces [step 2] | -2.378813099772004e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -1.232471072143415e-07 | PASS |
| Forces [step 3] | -2.490668311333745e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | -1.049621153881297e-08 | PASS |
| Forces [step 4] | -2.574366060545919e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 7.002882467244120e-07 | PASS |