Input 10-bomd.02-td.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss_autotools: [foss2023a-serial]
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] | -1.058158908445420e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217498990513377e-09 | PASS |
| Energy [step 3] | -1.058145774227792e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509558783003740e-09 | PASS |
| Energy [step 4] | -1.058134610373874e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.362737809377904e-09 | PASS |
| Forces [step 1] | -1.538478572155707e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994396856523e-07 | PASS |
| Forces [step 2] | -1.732216535537766e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557405869498048e-08 | PASS |
| Forces [step 3] | -1.918267217133121e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697456490674544e-07 | PASS |
| Forces [step 4] | -2.092291851356217e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.022871981559703e-07 | PASS |