Match SCF convergence
Commits >
Commit b27eded3d993de0343d6f1363463df82eb2e5c60 >
Run foss-mpi-full: [foss2023a-mpi] >
Input 06-restart.03-gs_mixvhxc.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.270000000000000e-05 | PASS |
Command: GREPCOUNT(workdir/static/info, 'SCF \*not\* converged')