Match Hartree energy
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 18-TiO2.02-gs_kerker.inp
Value | Reference | Precision | Status |
4.172762507000000e+01 | 4.172762507000000e+01 | 2.090000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)