Match Correlation energy
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run spack_foss-2022a_serial_min >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-3.387863750000000e+00 | -3.387863770000000e+00 | 1.690000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Correlation =', 3)