Match Occupation Ni2 down 3d4
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
9.308780700000000e-01 | 9.308777000000000e-01 | 4.650000000000000e-06 | PASS |
Command: LINEFIELD(static/occ_matrices, -2, 7)