Match Eigenvalues sum
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-mpi-min: [foss2022a-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
-9.213209689999999e+00 | -9.213246620000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)