Match SCF convergence
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run spack_foss-2022a_serial_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')