Input 10-bomd.03-td_restart.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198503295e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -5.735872221634963e-09 | PASS |
| Energy [step 2] | -1.058226791647429e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -1.036750951755039e-08 | FAIL |
| Energy [step 3] | -1.058222764914338e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -1.407211236426065e-08 | FAIL |
| Energy [step 4] | -1.058219876697766e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.314864306323216e-08 | FAIL |
| Forces [step 1] | -2.249842074666733e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 5.323855079009121e-09 | PASS |
| Forces [step 2] | -2.378832085306475e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | -2.021800554280473e-06 | FAIL |
| Forces [step 3] | -2.490649392616713e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 1.881375491757931e-06 | FAIL |
| Forces [step 4] | -2.574373858952433e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -7.955240471924085e-08 | PASS |