Match Occupation Ni2 up-down 3d5
Commits >
Commit 701869cc1eb5c6c77a64efba9e1ed1058e4204f9 >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] >
Input 08-loewdin.01-Si.inp
Value | Reference | Precision | Status |
9.859811000000001e-01 | 1.191826260000000e+00 | 5.960000000000000e-08 | FAIL |
Command: LINEFIELD(static/occ_matrices, -1, 5)