Input 10-bomd.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828874e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010803885037603e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217488332372341e-09 | PASS |
| Energy [step 3] | -1.058145774227804e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509681351625659e-09 | PASS |
| Energy [step 4] | -1.058134610370729e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.331285635179484e-09 | PASS |
| Forces [step 1] | -1.538478572155436e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994125962105e-07 | PASS |
| Forces [step 2] | -1.732216535537760e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557405927784757e-08 | PASS |
| Forces [step 3] | -1.918267217256395e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697579764843194e-07 | PASS |
| Forces [step 4] | -2.092291805552279e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -9.770680431397949e-08 | PASS |