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

2011-05-20 Thread Ghosh SUDDHASATTWA
Dear Prof.Blaha and Wien2k users, The supercell for K2UCl5 is attached. During init_lapw and lstart The following error comes STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs ) Can you please suggest what I have to do for soling this problem The idea is to have two

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

2011-05-20 Thread 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

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

2011-05-20 Thread Ghosh SUDDHASATTWA
[mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Stefaan Cottenier Sent: Friday, May 20, 2011 12:29 PM To: A Mailing list for WIEN2k users Subject: Re: [Wien] STOP: YOU MUST MOVE THE ORIGIN OF THE UNIT CELL (see K2UCl5_SC.outputs ) The mailing list should be your last resort to solve