[Pw_forum] q not allowed

[Axel Kohlmeyer]

On Sat, 17 Feb 2007, Ezad Shojaee wrote:

ES> hi
ES> how should i define the grid for phonon calculation, not to have " q not 
ES> allowed " error?

this has been discussed a _lot_ in this forum. 
please dig through the archives.

thanks,
   axel.

ES> thanx
ES> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.