Match Occupation Ni2 up-down 3d5
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_debug_autotools: [foss2023a-serial] >
Input 08-loewdin.01-Si.inp
Value | Reference | Precision | Status |
1.191826330000000e+00 | 1.191826330000000e+00 | 5.960000000000000e-08 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 5)