Match Hartree energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_serial_min >
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)