Match Eigenvalues sum
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_intel-2023a_serial_omp >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-4.815925720000000e+00 | -4.815925660000000e+00 | 2.410000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Eigenvalues =', 3)