[Pw_forum] ask question

[Paolo Giannozzi]

On Jun 9, 2007, at 12:46 , wang yanchao wrote:

>   I caculate a material which is body centered orthorhombic  
> structure. It should have 8 operations,but it only find 2  
> operations! When I used CASTEP do it,I can find 8 operation,So I  
> redefine teh vecter of lattice,but in vain.now I don't know what I  
> should do?

In the user guide, "Troubleshooting" section:
http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_% 
28PWscf%29
you should locate the two fields
- Òwarning: symmetry operation # N not allowedÓ
- pw.x doesnÕt Þnd all the symmetries you expected.
and read them

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy