Match SCF convergence
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_intel-2022a_impi_omp >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.450000000000000e-07 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')