Crystal-symmetry routines originating from the K290/ACMI code. More...

Functions/Subroutines
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

Crystal-symmetry routines originating from the K290/ACMI code.

GROUP1, PGL1, ATFTM1, and ROT1 are based on the Worlton-Warren Computer Physics Communications package (1971, 1974).

Function/Subroutine Documentation

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 61 of file kpsym.F.

Here is the call graph for this function:

Here is the caller graph for this function: