Match Occupation Ni2 up-down 3d4
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_debug_autotools: [foss2023a-serial] >
Input 08-loewdin.01-Si.inp
Value | Reference | Precision | Status |
1.191826330000000e+00 | 1.191826500000000e+00 | 5.960000000000000e-07 | PASS |
Command: LINEFIELD(static/occ_matrices, -2, 3)