Match SCF convergence
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run valgrind: [foss2023a-serial] >
Input 10-helium_upf.03-gs_filter_bsb.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.920000000000000e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')