Match Hartree energy
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_autotools: [intel2023a-serial] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551474940000000e+00 | -4.551474860000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)