PROGRAM makelist2

c	Makes list of points for molecular averaging

	PARAMETER	aa = 197.17, bb = 127.03, cc = 134.18, beta = 97.64
	PARAMETER	nx = 240, ny = 144, nz = 160		!2.8 Ang output
	PARAMETER	mx = 400, my = 256, mz = 270		!2.8 Ang input

	REAL		orth(3,3) /191.99193,   0.0 ,  -47.64826,
	1			     0.0    , 127.03,    0.0    ,
	2			    44.88991,   0.0 ,  125.43491/

	INTEGER*2	ix, iy, iz

c	Enter radius of sphere about origin

	WRITE (6, 1000) ' Enter radius of sphere around origin:'
1000	FORMAT (a)
	READ (5, 1001) rad
	WRITE (6, 1001) rad
1001	FORMAT (f10.4)

c	Loop through hemisphere
	
	nxl = nx*rad/aa+1
	nyl = ny*rad/bb+1
	nzl = nz*rad/cc+1
	WRITE (6, 1002) nxl, nyl, nzl
1002	FORMAT (' Grid limits:', 3i5)

	rad = rad*rad
	npts = 0

	OPEN (unit=1, status='NEW', form='UNFORMATTED',
	1	file='POINT28.LIST')

	DO iy = -nyl,nyl
	  fy = FLOAT(iy)/ny
	  DO ix = -nxl,nxl
	    fx = FLOAT(ix)/nx
	    DO iz = 0, nzl
	      fz = FLOAT(iz)/nz
	  
c	Calculate distances

	      x = fx*orth(1,1) + fy*orth(2,1) + fz*orth(3,1)
	      y = fx*orth(1,2) + fy*orth(2,2) + fz*orth(3,2)
	      z = fx*orth(1,3) + fy*orth(2,3) + fz*orth(3,3)
	      d = x*x + y*y + z*z
	      IF (d .LE. rad) THEN
	        WRITE (1) ix, iy, iz, fx, fy, fz
	        npts = npts + 1
	      endIF
	    endDO
	  endDO
	endDO

	CLOSE unit=1

	WRITE (6, 1003) npts
1003	FORMAT (2i8)
	end