Match SCF convergence
Commits >
Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 >
Run spack_intel-2023a_impi >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')