Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2023a_serial_debug >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158381400001e+02 | -5.236158373600000e+02 | 1.330000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)