Match Hartree energy
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_intel-2022a_impi_omp >
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)