Match Hartree energy
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778779000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)