program makefc
      character*80 fn,s80
      character*2 sy 
      integer symboltoatnumber
c
      write(6,6000)
6000  format(' Making big FILE.X movie file from CPMD output',/)
      if(iargc().gt.0)then
       call getarg(1,fn)
       call getarg(2,s80)
       read(s80,*)NA1
       call getarg(3,s80)
       read(s80,*)NA2
       call getarg(4,s80)
       read(s80,*)NN
      else
       write(6,*)'Trajectory filename:'
       read(5,200)fn
200    format(a80)
       write(6,6001)
6001   format(
     1 'Interval of atoms, geom int (N1 N2 NN, "0 0 0" for all): ',$)
       read(5,*)NA1,NA2,NN
      endif
      ig=0
      it=0
      if(NN.eq.0)NN=1
      open(3,file='FILE.X')
      open(4,file=fn)
1     read(4,*,err=999,end=999)nat
      if(NA1.eq.0)NA1=1
      if(NA2.eq.0)NA2=nat
      read(4,200,err=999,end=999)s80
      ig=ig+1
      if((ig/NN)*NN.eq.ig)then
       it=it+1
       write(3,200)s80
       write(3,*)NA2-NA1+1
       do 2 ia=1,nat
       read(4,200)s80
       read(s80(3:80),*)x,y,z
       if(ia.ge.NA1.and.ia.le.NA2)then
        write(3,300)symboltoatnumber(s80(1:2)),x,y,z
300     format(i3,3f12.6)
       endif
2      continue
      else
       do 21 ia=1,nat
21     read(4,*)
      endif
      goto 1
999   close(4)
      close(3)
      write(6,*)' FILE.X made.'
      write(6,600)ig,it
600   format(I8,' geometries found;',I8,' written.')
      stop
      end
      
      function symboltoatnumber(s)
      implicit none
      character*(*)s
      integer symboltoatnumber,jstart,jend,iend,istart,i
      character*2 atsy(89)
      DATA ATSy/'H ','HE','LI','BE','B ','C ','N ','O ','F ','NE',
     3'NA','MG','AL','SI','P ','S ','CL','AR',
     4'K ','CA','SC','TI','V ','CR','MN','FE','CO','NI','CU','ZN',
     4          'GA','GE','AS','SE','BR','KR',
     5'RB','SR','Y ','ZR','NB','MO','TC','RU','RH','PD','AG','CD',
     5          'IN','SN','SB','TE','I ','XE',
     6'CS','BA','LA',
     6               'CE','PR','ND','PM','SM','EU','GD','TB','DY','HO',
     6               'ER','TM','YB','LU',
     6'HF','TA','W ','RE','OS','IR','PT','AU','HG',
     6          'TL','PB','BI','PO','AT','RN',
     7'FR','RA','AC'/
      jstart=1
      do 1 istart=1,len(s)
1     if(s(istart:istart).ne.' ')goto 2
2     do 3 iend=len(s),1,-1
3     if(s(iend:iend).ne.' ')goto 4
4     do 6 i=istart,iend
6     if(ichar(s(i:i)).gt.96)s(i:i)=char(ichar(s(i:i))-32)

      do 5 i=1,89
      if(atsy(i)(2:2).eq.' ')then
       jend=1
      else
       jend=2
      endif
      if(atsy(i)(jstart:jend).eq.s(istart:iend))then
       symboltoatnumber=i
       return
      endif
5     continue

      write(6,*)s,' symbol not found'
      symboltoatnumber=0
      return
      end