Match Partial charge 5
Commits >
Commit 23d5ddb085c569d9609ce2385772116d59d2e94d >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
7.024000000000000e+00 | 7.024000000000000e+00 | 3.510000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)