Match SCF convergence
Commits >
Commit 16cdfcecc1be9b3eac0dbe4ff8b1dc79e6b9a001 >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 01-xc_1d.02-wfs-hf.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.370000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')