(options,args)= parser.parse_args()
out_format= options.format
outfname= options.outfname
sid1= options.sid1
sid2= options.sid2
sid3= options.sid3
#...check output format
if not out_format[0] in ('a','p'):
print ' ERROR: Output format must be akr or pmd.'
exit()
#...read POSCAR as 0th step
if len(args)==0 and not os.path.exists('./POSCAR'):
print ' ERROR: Any POSCAR file have not been specified.'
exit()
elif len(args)==0:
infname= './POSCAR'
else:
infname= args[0]
#aSys= AtomSystem()
aSys.read_POSCAR(infname)
change_species(sid1,sid2,sid3)
if out_format[0] in ('a'):
aSys.write_akr(outfname)
elif out_format[0] in ('p'):
aSys.write_pmd(outfname)
