[Pw_forum] problem with defining zigzag nanotube

Paolo Giannozzi giannozz at nest.sns.it
Tue Oct 16 19:07:05 CEST 2007


On Oct 16, 2007, at 8:47 , zahra sadat naghavi wrote:

> i want to define the single zigzag nanotube to the code, but it  
> does not
> recognize the symmetries i'd like(2 instead of 10). what may be the  
> problem?

the problem is that you (like everybody else) didn't read the  
instructions...
See the User Guide, http://www.quantum-espresso.org/wiki/index.php/ 
Main_Page
chapter 8 "Troubleshooting", item 1.22 "pw.x doesnÕt Þnd all the  
symmetries
you expected"

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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