Input 16-bomd.02-td.inp
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626710e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | 1.010826977676516e-09 | PASS |
| Energy [step 2] | -1.058158908201927e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | 1.217458134306071e-09 | PASS |
| Energy [step 3] | -1.058145773725898e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509361607394567e-09 | PASS |
| Energy [step 4] | -1.058134609279470e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578003836603784e-09 | PASS |
| Forces [step 1] | -1.538476408166964e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994367713168e-07 | PASS |
| Forces [step 2] | -1.732218447021974e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557439581420191e-08 | PASS |
| Forces [step 3] | -1.918261821936507e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697389932804217e-07 | PASS |
| Forces [step 4] | -2.092289485513155e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | 1.338583302534779e-07 | PASS |