Match Occupation Ni2 down 3d5
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run spack_foss-2022a_serial_debug >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
8.885764300000000e-01 | 8.885771099999999e-01 | 7.480000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)