Match Eigenvalues sum
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-3.455995870000000e+00 | -3.455995870000000e+00 | 3.460000000000000e-14 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)