Match Hartree energy
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778702000000e+01 | 4.244778686000000e+01 | 1.190000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)