Match Occupation Ni2 down 3d5
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_foss-2022a_cuda_mpi_omp >
Input 02-ACBN0.01-nio.inp
Value | Reference | Precision | Status |
9.951782700000000e-01 | 9.951783000000000e-01 | 4.980000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 9)