Match eigenvalue [2]
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
-5.580501000000000e+00 | -5.580501000000000e+00 | 2.790000000000000e-05 | PASS |
Command: GREPFIELD(static/info, '2 --', 3)