Input 10-bomd.03-td_restart.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198716060e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.863523165951847e-09 | PASS |
| Energy [step 2] | -1.058226791421465e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -8.107866378281869e-09 | PASS |
| Energy [step 3] | -1.058222764260696e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -7.535694734883691e-09 | PASS |
| Energy [step 4] | -1.058219876107230e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -7.243279753765819e-09 | PASS |
| Forces [step 1] | -2.249842024015594e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.038896899063779e-08 | PASS |
| Forces [step 2] | -2.378812275610032e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -4.083090998641126e-08 | PASS |
| Forces [step 3] | -2.490666516605571e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.689766059020936e-07 | PASS |
| Forces [step 4] | -2.574372189939233e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 8.734891532302669e-08 | PASS |