Match Occupation 1s dn
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2022a_cuda_serial >
Input 11-full_delta.01-gs.inp
Value | Reference | Precision | Status |
1.935602390000000e+00 | 1.935602390000000e+00 | 9.680000000000001e-08 | PASS |
Command: LINEFIELD(static/occ_matrices, -1, 1)