Match SCF convergence
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2022a_cuda_serial >
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')