Match Hartree energy
Commits >
Commit 0c0a0ff03fa1c9b5e42984c9b7f40a807c9ec9b7 >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
-4.551473600000000e+00 | -4.551473590000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)