mtlr_u_j_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	mtlr_u_j_methods
	Driver for self-consistent minimum tracking linear response U and J calculations.

Functions/Subroutines
subroutine, public	mtlr_u_j_methods::do_mtlr_u_j (force_env)
	Driver for self-consistent MTLR U/J iteration. Each outer iteration performs: 1) one standard ENERGY SCF 2) one MTLR evaluation of U and J 3) one update of the Hubbard parameters until U and J are converged. using a method based on Lowdin charges.