Match Hartree energy
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Run spack_foss-2023a_serial_opt >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244572557000000e+01 | 4.244572722000000e+01 | 2.880000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)