Match Occupation Ni2 down 3d4
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run spack_foss-2022a_serial >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
8.725038300000000e-01 | 8.725035000000000e-01 | 4.360000000000000e-06 | PASS |
Command: LINEFIELD(static/occ_matrices, -2, 7)