Match Occupation Ni2 down 3d5
Commits >
Commit e09e54217c6ccfa05cd54e62fc481dbeeea35df8 >
Run foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
9.511085900000000e-01 | 9.511090600000000e-01 | 8.470000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)