Input 10-bomd.03-td_restart.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198718146e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.884384700673763e-09 | PASS |
| Energy [step 2] | -1.058226791345855e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.351767195018510e-09 | PASS |
| Energy [step 3] | -1.058222764032155e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.250280210589153e-09 | PASS |
| Energy [step 4] | -1.058219875779334e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -3.964320427485291e-09 | PASS |
| Forces [step 1] | -2.249842024197346e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.037079383481299e-08 | PASS |
| Forces [step 2] | -2.378810646233783e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.221067149337340e-07 | PASS |
| Forces [step 3] | -2.490664427049618e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.779322012287256e-07 | PASS |
| Forces [step 4] | -2.574374104861116e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -1.041432729498304e-07 | PASS |