Match Hartree energy
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_omp_autotools: [foss2023a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778699000000e+01 | 4.244778760000000e+01 | 9.680000000000001e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)