Match SCF convergence
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss-mpi-debug: [foss2023a-mpi] >
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')