[Pw_forum] query on fermi energy

Ajit Vallabhaneni avallabh at purdue.edu
Sun Jan 15 12:50:30 CET 2012



       Any thoughts on my second question  regarding the e-ph calculation. 
For a give set of q and k points, what is the best way to ensure that all 
k+q points are available to avoid the message " q is not a vector in the 
dense grid" in the calculations"? I observed that using a dense grid is not 
enough sometimes. Do we have to check it outside of the quantum espresso 
before the calculation begins?
 
Thanks
Ajit



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