Match Hartree energy (numerical)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-cmake-zen4: [foss2023a-serial, foss-min] >
Input 05-hartree_3d_fft.05-3d_2d_periodic.inp
Value | Reference | Precision | Status |
3.871004614452609e-01 | 3.871004614453000e-01 | 1.940000000000000e-12 | PASS |
Command: GREPFIELD(hartree_results, 'Hartree Energy (numerical) =', 5)