Match step 23 Bader files
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run intel-2022b_impi >
Input 05-output.01-gs-set1.inp
Value | Reference | Precision | Status |
3.000000000000000e+00 | 3.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: SHELL(ls -A output_iter/scf.0023/ | wc -l)