Match step 3 density files
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run cmake_foss_2022a_full_mpi >
Input 05-output.01-gs-set1.inp
Value | Reference | Precision | Status |
4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: SHELL(ls -A output_iter/scf.0003/ | wc -l)