Match SCF convergence
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-ppc: [foss2022a-serial] >
Input 16-sodium_chain_cylinder.03-ground_state_disp.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 5.910000000000000e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')