Input 16-bomd.02-td.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010830530390194e-09 | PASS |
| Energy [step 2] | -1.058158908201926e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217468792447107e-09 | PASS |
| Energy [step 3] | -1.058145773725894e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509395358174515e-09 | PASS |
| Energy [step 4] | -1.058134609279458e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578119299798345e-09 | PASS |
| Forces [step 1] | -1.538476408166654e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994678298059e-07 | PASS |
| Forces [step 2] | -1.732218447021746e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557437294360760e-08 | PASS |
| Forces [step 3] | -1.918261821795826e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697530614159671e-07 | PASS |
| Forces [step 4] | -2.092289485325844e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | 1.447721321989892e-07 | PASS |