Match Hartree energy
Commits >
Commit e2be4241e1123cfe2128c9ad54377278ca8d1a05 >
Run intel-2022b >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172936840000000e+01 | 4.172936816000000e+01 | 1.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)