Match Hartree energy
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run spack_foss-2023a_serial_opt >
Input 01-nio.01-U5-gs.inp
Value | Reference | Precision | Status |
4.643666978000000e+01 | 4.643667351000000e+01 | 9.860000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)