Match Hartree energy
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run spack_foss-2022a_serial >
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)