Match SCF convergence
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Run foss-2022a_opt >
Input 36-kli_x.02-gs_spinors.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 2.960000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')