Input 10-bomd.02-td.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010812766821800e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217490108729180e-09 | PASS |
| Energy [step 3] | -1.058145774227806e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509700891550892e-09 | PASS |
| Energy [step 4] | -1.058134610369570e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.319694906802397e-09 | PASS |
| Forces [step 1] | -1.538478572155763e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994453200341e-07 | PASS |
| Forces [step 2] | -1.732216535538287e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557400665327620e-08 | PASS |
| Forces [step 3] | -1.918267217305353e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697628722903023e-07 | PASS |
| Forces [step 4] | -2.092291787740961e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.592567254412820e-08 | PASS |