Match SCF convergence
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_serial_min >
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')