Match Hartree energy
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_intel_autotools: [intel2023a-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778696000000e+01 | 4.244778760000000e+01 | 9.680000000000001e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)