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.