Match Hartree energy
Commits >
Commit d6f4833c99197407842d58e82c91c418d3d73b88 >
Run cmake_foss_2022a_full_serial >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172936857000000e+01 | 4.172936816000000e+01 | 1.910000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)