Match SCF convergence
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2022a_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')