Match Occupation Ni2 down 3d4
Commits >
Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 >
Run eb_foss-2022b_libxc6_mpi >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
9.732669100000000e-01 | 9.732669800000000e-01 | 4.870000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -2, 7)