Match Hartree energy
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run cmake_foss_2022a_full_serial >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551474960000000e+00 | -4.551474860000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)