pao_param_fock.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	pao_param_fock
	Common framework for using eigenvectors of a Fock matrix as PAO basis.

Functions/Subroutines
subroutine, public	pao_param_fock::pao_calc_u_block_fock (pao, iatom, V, U, penalty, gap, evals, M1, G)
	Calculate new matrix U and optinally its gradient G. More...