Match Correlation energy
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run intel_autotools: [intel2023a-serial] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-3.387894200000000e+00 | -3.387894220000000e+00 | 1.690000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Correlation =', 3)