Match SCF convergence
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run foss-2022a_opt >
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')