Match Occupation Ni2 down 3d5
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_debug_autotools: [foss2023a-serial] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
9.951798900000000e-01 | 9.951790500000000e-01 | 9.240000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)