Match Occupation Ni2 up-down 3d5
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-min-parallel: [foss2022a-mpi] >
Input 08-loewdin.01-Si.inp
Value | Reference | Precision | Status |
9.859809899999999e-01 | 1.191826260000000e+00 | 5.960000000000000e-08 | FAIL |
Command: LINEFIELD(static/occ_matrices, -1, 5)