Match Hartree energy
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run intel-2022b_impi >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551474020000000e+00 | -4.551474020000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)