Match SCF convergence
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_foss_mpi_omp: [foss2023a-mpi] >
Input 03-ACBN0_restricted.02-lif_unpacked.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.420000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')