Match Occupation Ni2 down 3d5
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
9.951782500000000e-01 | 9.951790500000000e-01 | 1.080000000000000e-06 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)