Match SCF convergence
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run intel_mpi_autotools: [intel2023a-mpi] >
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')