HFSingularity

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HFSingularity

Section Hamiltonian::XC
Type integer
Default general

(Experimental) This variable selects the method used for the treatment of the singularity of the Coulomb potential in Hatree-Fock and hybrid-functional DFT calculations. This shoulbe be only applied for periodic systems and is only used for FFT kernels of the Poisson solvers.

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