Match SCF convergence
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run spack_foss-2022a_serial_debug >
Input 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.060000000000000e-13 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')