Match Eigenvalue [1up]
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run intel-2022b >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-4.545948000000000e+00 | -4.545943000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, '1 up', 3)