Extract poscar files from traj.xyz (**Python**)
===========

This python script extract poscar files from traj.xyz   
lattice constants are getton from CuC.xsf file


::

      #lipai@mail.ustc.edu.cn
      import os
      f0=open("CuC.xsf")
      f0.readline()
      f0.readline()
      x=f0.readline()
      y=f0.readline()
      z=f0.readline()
      f0.close()
      num_Cu=72
      
      f1=open("traj.xyz")
      ordi=1
      while 1:
      	a=f1.readline()
      	if not a:
      		break
      	num=int(a.split()[0])
      	fileout="POSCAR-"+str(ordi)
      	f2=open(fileout,"w")
      	f2.write("Cu & C system from GCMC simulation\n")
      	f2.write("1.0\n")
      	f2.write(x)
      	f2.write(y)
      	f2.write(z)
      	f2.write("Cu    C\n")
      	f2.write(str(num_Cu)+"  "+str(num-num_Cu))
      	f2.write("\nCart\n")
      	ordi+=1
      
      	f1.readline()
      	for i in range(0,num):
      		a=f1.readline().split()
      		f2.write(a[1]+"\t"+a[2]+"\t"+a[3]+"\n")
      	
      	f2.close()
      
      f1.close()    
      			
      os.system('mkdir poscar')
      os.system('mv POSCAR*  poscar')