Match SCF convergence
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 06-restart.04-restart_gs_mixvhxc.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.650000000000000e-05 | PASS |
Command: GREPCOUNT(workdir/static/info, 'SCF \*not\* converged')