Match Hartree energy
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_foss-2023a_serial_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)