Match Hartree energy
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_min_autotools: [foss2023b-serial] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778695000000e+01 | 4.244778760000000e+01 | 9.680000000000001e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)