Match Occupation Ni2 down 3d5
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
9.951782500000000e-01 | 9.951790500000000e-01 | 9.240000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)