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DFTUDoubleCounting

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Section Hamiltonian::DFT+U
Type integer
Default dft_u_fll

This variable selects which DFT+U double counting term is used.

Options:

dft_u_fll:
(Default) The Fully Localized Limit (FLL)
dft_u_amf:
(Experimental) Around mean field double counting, as defined in PRB 44, 943 (1991) and PRB 49, 14211 (1994).
dft_u_mix:
(Experimental) Mixed double countind term as introduced by Petukhov et al., PRB 67, 153106 (2003). This recovers the FLL and AMF as limiting cases.

Source information

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