Match Hartree energy
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Run spack_foss-2022a_serial_min >
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)