Input 10-bomd.02-td.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966518179e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 2.096154361197478e-09 | FAIL |
| Energy [step 2] | -1.058158908088515e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 2.351553618495927e-09 | FAIL |
| Energy [step 3] | -1.058145774185952e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.091157469408245e-09 | PASS |
| Energy [step 4] | -1.058134610326864e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -4.892642735399022e-09 | PASS |
| Forces [step 1] | -1.538475246426474e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 2.243734835705169e-07 | FAIL |
| Forces [step 2] | -1.732219674653981e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -2.183375627518025e-07 | FAIL |
| Forces [step 3] | -1.918267879975827e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -3.360299197230354e-07 | FAIL |
| Forces [step 4] | -2.092290976107473e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.476232369679309e-08 | PASS |