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
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
[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
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