Match Hartree energy
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run spack_foss-2022a_mpi_opt >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.067930460000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)