Match Hartree energy
Commits >
Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac >
Run cmake_foss_2022a_min_serial >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244572557000000e+01 | 4.244572722000000e+01 | 2.880000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)