Input 16-bomd.02-td.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-min-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] | -1.058145773725890e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | 2.509434438024982e-09 | PASS |
| Energy [step 4] | -1.058134609279450e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | 5.578204564926637e-09 | PASS |
| Forces [step 1] | -1.538476408166969e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | 1.081994363549832e-07 | PASS |
| Forces [step 2] | -1.732218447022074e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | -9.557440577845355e-08 | PASS |
| Forces [step 3] | -1.918261821895097e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | 2.697431343012813e-07 | PASS |
| Forces [step 4] | -2.092289485709629e-01 | -2.092290933047166e-01 | 1.590000000000000e-07 | 1.447337537319182e-07 | PASS |