Match Hartree energy (numerical)
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-mpi-min: [foss2022a-mpi] >
Input 05-hartree_3d_fft.04-3d_3d_periodic.inp
Value | Reference | Precision | Status |
3.497836148181850e-01 | 3.497836148185000e-01 | 1.750000000000000e-12 | PASS |
Command: GREPFIELD(hartree_results, 'Hartree Energy (numerical) =', 5)