Match Hartree energy
Commits >
Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778804000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)