Match Hartree energy
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run foss-2022a_mpi_omp >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244572632000000e+01 | 4.244572722000000e+01 | 2.880000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)