Match Hartree energy
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run spack_foss-2022a_cuda_serial >
Input 18-TiO2.01-gs.inp
Value | Reference | Precision | Status |
4.244778780000000e+01 | 4.244778760000000e+01 | 9.680000000000001e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)