generate an occupation domain in icosahedral phases
               (superspace group p-5-3m is assumed)
                   note the following assumption
            structure has different decorations in ve
            depending on positions of verteces in vi.
            therefore the atom position of each atom
            has to be the vector in ve.


                         input data

     (0) inpm iapprx
         inpm=0 separatel file (standard input, flnm1 and flnm2)
             =1 standard input only
         iapprx 0 reshape of OD
                1 not reshape  (use this)
     (1) title    (72a1)
     (2) a,eps1,eps2,eps3,isys,eps0,ists,mode,itst
         a: lattice papameter
         eps1: axis component for pentagonal or trigonal distortion
         eps2: planar component for pentagonal or trigonal distortion
         eps3: rotation from icosahedral to cubic
         isys: 1,2 for icosahedral
         eps0: eps for domain (default 1.0 E-6)
         ists: 0 normal mode
               1 test mode (xi0 is neglected)
         mode: 0 independent ODs (occupation domains) are written
               1 all ODs are written 
               2 all ODs are are written in different sheest
              -1 all independent ODs plus equivalent symmetry operators
                 which are specified in (11)
                
         itst:  0: no test output 1-7 test output
                7: output showing subdivision of a plane
     (3) na, npod
         na: number of ODs    (<=namax=50)
         npod : number of predefined occupation domains  (<=namax=50)

     ******** if inpm=0 skip (4) ******
     (4) flnm1
         flnm1 : filename which gives the following items
     
     ******** if inpm=1 skip (01)-(07) ******
##########################################################################
     (01) nsymo,icent,brv
          nsymo: number of generators in symmetry operations
          icent: give 1 for centrosymmetric
          brv  : 'p','i','f' for primitive, body-centered,face-centered
             's' for face-centered with input data based on the primitive cell a0=a/2
     (02) 'symmetry operator'        header  and
     (03) x,y,z,t,u,v etc  (symmetry operator in I.T. format)
          ***** repeat (03) nsymo times
     (04) n, nej0, itype, str
         n    : serial number for the guide to the eye
         nej0 :number of edge vectors for predefined occupation domain (<=nemax=5)
         itype  :  1 domain with icosahedral, degagonal, octagonal or dodecagonal symmetry
                   2 domain with other symmetry
                  -1 domain with icosahedral, degagonal or octagonal symmetry for test
                  -2 domain with other symmetry for test
                    negative itype is faster than positive one but
                    two calculations should give the same result (please test)
         str  : string for comments
     (05) ej  : edge vectors of their internal components or principal axes
         ej(1)-ej(6)

     (05) ej  : edge vectors of their internal components or principal axes
         ej(1)-ej(6)
               repeat (5) ne times
     (06) nth, (mej(1),mej(2),,),... nth times
          nth: number of tetrahedra
          mej: a triplet of vector numbers specifying a tetrahedron
     (07) iaslct(1-(nsymo+icent*nsymo))
           (60i1) 1:selected, 0:skipped **na times
       ******** repeat (04)-(07) npod times

 ###########################################################################

     ******** if inpm=0 skip (5) ******
     
     (5) flnm2
         flnm2 : filename which gives the following items

     ******** if inpm=1 skip (01)-(08) ******
 ############################################################################
     (01) ia,symb,ien,ish,ne,be,bi,ramin,ramax,p,s1,s2 (*)
         ia: OD number
             OD with the same ia is regarded as the fragment of an
                OD specified by ia.  This enables to construct a complex
                OD with several fragments or several holes
       ******note that each OD with the same ia should have the same 
             position in ve but may have a different position in vi
         symb: site symbol
         ien: color number
         ish: 0: tetrahedron,
              1: triacontahedron
              2: sphere
           if ish=2 then r=1 means 1.4325 (ca)
         ne : number of edge vectors      (ne <= 20)
              consequtive three vectors are regarded as the edge vectors 
              of a tetrahedron defining the occupation domain
         be: isotropic temperature factor in external space
         bi: isotropic temperature factor in internal space
         ramin :  scale for unoccupied tetrahedron or rhombohedron
         ramax :  scale for occupied tetrahedron or rhombohedron
            if ish=2 ramax=1 means shere with radius of 1.4325 (ca)
            (radius of the shere equivalent to unit triacontahedron
                    creating the 3d penrose pattern)
         p    : occupation probability
                negative p means that a hole in a occupation domain
         s1    : percentage of second component
         s2    : percentage of third component
         (** one site is assumed to be occupied by two atoms**)
          ***** ish=-1 to use truncated triacontahedron *****
              ra or rb=1 corresponds to the triacontahedron with
                   unit edge length
     (02)  x(1)-x(6): coordinate of atom in 5D
     (03)  xe1(1)-xe1(6),u1 shift vector in ve and magnitude  (6D coordinates)
     (04)  xe2(1)-xe2(6),u2 shift vector in ve and magnitude  (6D coordinates)
     (05)  xe3(1)-xe3(6),u3 shift vector in ve and magnitude  (6D coordinates)
     (06)  xi(1)-xi(6),v shift vector in vi and magnitude  (6D coordinates)
**************************************************************************
            note x(1)-x(6) are set to be zeto in the program !!
**************************************************************************
        ******* if(ish > 0) skip (07) ****
     (07) ej
          ej:  edge vectors of two triangles in the 6D coordinate system
               repeat (07) ne times
                ***************notice****************
               the internal components of consecutive ej are regarded as
               the consecutive edge vectors of the polyhedron defining
               the occupation domain
                ***************notice***************

     (08) nth, (mej(1),mej(2),,),... nth times
          nth: number of tetrahedra
          mej: a triplet of vector numbers specifying a tetrahedron
       ******** repeat (01)-(08) na times
 ############################################################################

     (6) ldev,ng,amag
          ldev : 1 B&W 2 color
          ng  number of figures
          amag magnification
     (7)  jcol
                 jcol : brightness (0 <=jcol <=10)
                 if jcol=-1 jcol is proportional to 1+cos(t)
                    where t is the angle between the plane normal and the
                    z axis
                 if jcol=-2 jcol is proportional to 1+cos(u)
                    where u is the angle between the plane normal and the
                    (112) axis
                 if jcol=-3 jcol is proportional to 1+cos(v)
                    where v is the angle between the plane normal and the
                    (111) axis
     (8)   iornt : orientation 1: portrait 2: landscape
     (9)   imode, wrl_file
             imode : 0 shading 1 wire-frame & VRML
              *****if imode=0 wrl_file is not necessary***
               wrl_file: file_name of wrl_file
     (10) jaslct (80i1)
            if j-th column is 1, 2, or 3, j-th occupation domain is drawn
              1: with shading
              2: nonshading
              3: shading all faces of a tetrahedron

              0: j-th occupation domain is not drawn

     **********if mode < 0  (11) is necessary otherwise skip (11)**********
     (11) nt
          nt: number of symetry operators for each selected OD  (<=12)
                   **** nt <=12 ****
     (11') nr, tt(1-6)
          nr: symmetry operator number  (its rotational part is used)
          tt: translation vector
                nr,tt for each atom
                   **** repeat (11') nt times ****
     ****************repeat (11) na times*********************
     (12) rmag,icm,icase
          rmag:  magnification for ramin, ramax of ODs
          icm : 0 give orientation matrix in (16) determined by VRML
                1 give rotation angle around x, y or z axis in (16)
                2 use unir matrix for orm in (16) This is necessary for
                  determining orientation matrix by VRML
          icase: 1 projection along 5-fold axis
                 2 projection along 3-fold axis
                 3 projection along 2-fold axis             
     (13) shiftx,shifty,inum
          shiftx: shift before plot in cm
          shifty: shift before plot in cm
          inum  : 0 no number 1: occupation domain number is ploted
      **** if imode = 1 skip (14)
     (14) icolor(i),i=1,5        (only for imode=0)
          if imode = 0 skip (15)
      (15) rgbtbl                 (only for imode=1)    
           rgbtbl: three integers for R G B color (0<= R, G, B <=255)
            **** repeat (15) 5 times for 5 atom colors
       ****** if icm=2 skip (16) ******
     (16) orm  (transposed)
               (orm(1,1),orm(1,2),...,orm(3,3)
              for orientation matrix (icm=0)
           or a series of cmnd  cmnd='rotn', ended with cmd='end' (icm=1)
         ***********repeat (10-16) ng times**************
          




File translated from TEX by TTH, version 3.02.
On 15 Mar 2005, 15:45.