[Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs )

[Stefaan Cottenier]

The mailing list should be your last resort to solve problems, not your 
first. In this case, you should do what the message suggests:

> STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see  K2UCl5_SC.outputs )

Because that answers your question:

> Can you please suggest what I have to do for soling this problem

So go to that file, read the relevant messages, and you will know by 
which translation you have to shift all atoms. (applying sgroup first 
might be a quick alternative).

And in case you really labelled your atoms as U1 and U2: consider U 1 
and U 2 (with spaces) instead. That might solve your earlier problem. 
(in case that were the problem: using w2web or consulting the UG would 
have solved it...)

Stefaan