DFTUPoissonSolver
DFTUPoissonSolver
Section Hamiltonian::DFT+U
Type integer
This variable selects which Poisson solver
is used to compute the Coulomb integrals over a submesh.
These are non-periodic Poisson solvers.
The FFT Poisson solver with spherical cutoff is used by default.
Options:
- dft_u_poisson_direct:
Direct Poisson solver. Slow but working in all cases.
- dft_u_poisson_isf:
(Experimental) ISF Poisson solver on a submesh.
This does not work for non-orthogonal cells nor domain parallelization.
- dft_u_poisson_psolver:
(Experimental) PSolver Poisson solver on a submesh.
This does not work for non-orthogonal cells nor domain parallelization.
Requires the PSolver external library.
- dft_u_poisson_fft:
(Default) FFT Poisson solver on a submesh.
This uses the 0D periodic version of the FFT kernels.