Match SCF convergence
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 04-ACBN0_isolated.02-H_packed.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 7.020000000000000e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')