Match Hartree energy
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
-4.551473610000000e+00 | -4.551473590000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)