Match SCF convergence
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 01-xc_1d.01-wfs-lda.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')