Match SCF convergence
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run intel-serial: [intel2023a-serial] >
Input 03-octopus_basics-total_energy_convergence.01-N_atom.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 5.000000000000000e-03 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')