Match Occupation Ni2 up-down 3d4
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-parallel-debug: [intel2023a-mpi] >
Input 07-noncollinear.02-acbn0.inp
Value | Reference | Precision | Status |
-3.211108000000000e-02 | -3.151064000000000e-02 | 6.710000000000000e-04 | PASS |
Command: LINEFIELD(static/occ_matrices, -2, 7)