Match SCF convergence
Commits >
Commit abc749737cc12a5b79d975879ed425be2e62065f >
Run eb_foss-2022b_libxc6_mpi >
Input 18-Bi_pseudodojo_fr.01-gs.inp
Value | Reference | Precision | Status |
0.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | FAIL |
Command: GREPCOUNT(static/info, 'SCF converged')