RITES Subroutine

public subroutine RITES(NSPIN, NATOM, ZATOM, ALAT, NRMAXD, LMAXD, INS, QBOUND, EFERMI, VBC, CELL, CORESTATE, LMAXATOM, vpot_out)

this subroutine stores in 'ifile' the necessary results (potentials e.t.c.) to start self-consistency iterations modified for the full potential case - if ins .gt. 0 there is written a different potential card if the sum of absolute values of an lm component of vins (non spher. potential) is less than the given rms error qbound this component will not be stored . (see to subroutine start , where most of the arrays are described) modified by b. drittler aug. 1988

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NSPIN
integer				::	NATOM
real(kind=8)				::	ZATOM(NATOM)
real(kind=8)				::	ALAT
integer				::	NRMAXD
integer				::	LMAXD
integer				::	INS
real(kind=8)				::	QBOUND
real(kind=8)				::	EFERMI
real(kind=8)				::	VBC(2)
type(CELL_TYPE)				::	CELL(NATOM)
type(corestate_type)				::	CORESTATE(NATOM)
integer				::	LMAXATOM(NATOM)
real(kind=8)				::	vpot_out(:,:,:,:)