Input 10-bomd.03-td_restart.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198643655e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.139471236428108e-09 | PASS |
| Energy [step 2] | -1.058226791295321e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.846427424989088e-09 | PASS |
| Energy [step 3] | -1.058222764041250e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.341233233480125e-09 | PASS |
| Energy [step 4] | -1.058219875821931e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.390296126643989e-09 | PASS |
| Forces [step 1] | -2.249842031470592e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.643469245368408e-09 | PASS |
| Forces [step 2] | -2.378811159113517e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.081874145442590e-08 | PASS |
| Forces [step 3] | -2.490665540366008e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.666005622098400e-07 | PASS |
| Forces [step 4] | -2.574367810170954e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 5.253257432391578e-07 | PASS |