[Wien] ROTODEF error

[Rakesh K. Tiwari]

first you try to make this structure in vista by using these only coordinate. is It okey? 
 
************************************************************************************************************************************ Rakesh Kumar Tiwari, PhD                                                 


Assist. Professor
Department of Physics
Deen Dayal Upadhyay Gorakhpur University
Gorakhpur, 273009
U.P. India.



________________________________
 From: zafar rasheed <zafartariq2003 at yahoo.com>
To: wien at zeus.theochem.tuwien.ac.at 
Sent: Friday, January 11, 2013 4:33 PM
Subject: [Wien] ROTODEF error
 

Dear All 

I am using WIEN2K version 9. I want to do some electronic mechanical calculations of ZnO (zinc blend phase) wit some other metallic defects using 4 Zinc atoms 2 O atoms and 2 S atoms. In this process I use P as lattice type and take Zn at 0.0 0.0 0.0       0.5 0.5 0.0      0.5 0.0 0.5     0.0 0.5 0.5 
                       O    0.25   0.25  0.25     0.75  0.75  0.25
                       S    0.75   0.25   0.75     0.25  0.75  0.75

But  it gives warning when we go at VIEWOUTPUTSGROUP and says that your lattice type changed which is not my required structure file. When I proceed with above  structure an error ROTDEF error occurs.

May some body helps me to resolve this problem.

Muhammad Zafar
PhD Scholar
Department of Physics
The Islamia University of Bahawalpur,Pakistan 
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130112/f7a91e52/attachment.htm>