K-points and crystal symmetry routines based on. More...

Functions/Subroutines
subroutine, public	k290s (iout, nat, nkpoint, nsp, iq1, iq2, iq3, istriz, a1, a2, a3, alat, strain, xkapa, rx, tvec, ty, isc, f0, ntvec, wvk0, wvkl, lwght, lrot, nhash, includ, list, rlist, delta)
	...

subroutine, public	group1s (iout, a1, a2, a3, nat, ty, x, b1, b2, b3, ihg, ihc, isy, li, nc, indpg, ib, ntvec, v, f0, r, tvec, origin, rx, isc, delta)
	...

Detailed Description

K-points and crystal symmetry routines based on.

Function/Subroutine Documentation

subroutine, public kpsym::k290s	(	integer	iout,
		integer	nat,
		integer	nkpoint,
		integer	nsp,
		integer	iq1,
		integer	iq2,
		integer	iq3,
		integer	istriz,
		real(kind=dp), dimension(3)	a1,
		real(kind=dp), dimension(3)	a2,
		real(kind=dp), dimension(3)	a3,
		real(kind=dp)	alat,
		real(kind=dp), dimension(6)	strain,
		real(kind=dp), dimension(3, nat)	xkapa,
		real(kind=dp), dimension(3, nat)	rx,
		real(kind=dp), dimension(3, nat)	tvec,
		integer, dimension(nat)	ty,
		integer, dimension(nat)	isc,
		integer, dimension(49, nat)	f0,
		integer	ntvec,
		real(kind=dp), dimension(3)	wvk0,
		real(kind=dp), dimension(3, nkpoint)	wvkl,
		integer, dimension(nkpoint)	lwght,
		integer, dimension(48, nkpoint)	lrot,
		integer	nhash,
		integer, dimension(nkpoint)	includ,
		integer, dimension(nkpoint + nhash)	list,
		real(kind=dp), dimension(3, nkpoint)	rlist,
		real(kind=dp)	delta
	)

...

Parameters

Definition at line 78 of file kpsym.F.

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine, public kpsym::group1s	(	integer	iout,
		real(dp), dimension(3)	a1,
		real(dp), dimension(3)	a2,
		real(dp), dimension(3)	a3,
		integer	nat,
		integer, dimension(nat)	ty,
		real(dp), dimension(3, nat)	x,
		real(dp), dimension(3)	b1,
		real(dp), dimension(3)	b2,
		real(dp), dimension(3)	b3,
		integer	ihg,
		integer	ihc,
		integer	isy,
		integer	li,
		integer	nc,
		integer	indpg,
		integer, dimension(48)	ib,
		integer	ntvec,
		real(dp), dimension(3, 48)	v,
		integer, dimension(49, nat)	f0,
		real(dp), dimension(3, 3, 48)	r,
		real(dp), dimension(3, nat)	tvec,
		real(dp), dimension(3)	origin,
		real(dp), dimension(3, nat)	rx,
		integer, dimension(nat)	isc,
		real(dp)	delta
	)

...

Parameters

Definition at line 557 of file kpsym.F.

Here is the call graph for this function:

Here is the caller graph for this function: