Match Correlation energy
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_mpi_opt >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-3.387863790000000e+00 | -3.387863770000000e+00 | 1.690000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Correlation =', 3)