Match Hartree energy
Commits >
Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c >
Run spack_foss-2023a_serial_debug >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.641776779000000e+01 | 4.641776690000000e+01 | 7.890000000000001e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)