Match SCF convergence
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_autotools: [intel2023a-serial] >
Input 21-qedft-breit-3d.02-pxlda-helium.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 2.300000000000000e-07 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')