Match Hartree energy
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 03-sodium_chain.03-ground_state_disp.inp
Value | Reference | Precision | Status |
-4.551473590000000e+00 | -4.551473590000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)