Match SCF convergence
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run valgrind: [foss2023a-serial] >
Input 01-xc_1d.01-wfs-lda.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')