Match SCF convergence
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 16-sodium_chain_cylinder.01-ground_state.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')