Match SCF convergence
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 23-hybrids.03-Si_pbe0.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.470000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')