Match SCF convergence
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_mpi_autotools: [foss2022a-mpi] >
Input 03-octopus_basics-total_energy_convergence.02-methane.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.380000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')