[Pw_forum] Using mixture of pseudo potential

[Vi Vo]

Dear All,

In my calculation, I used a mixture of pseudo potentials, ie. norm-conserving pp 
(NC pp)  for one element and ultrasoft pp (US pp) for another.  If I don't 
specify ecutrho in the input, what will be the default value for ecutrho for the 
ultrasoft pp.  I know that for NC pp, ecutrho = 4*ecutwfc, but I do not know if 
the same value is used for US pp.  On the other hand, if I specify ecutrho = 
8*ecutwfc, then does the same value apply to the NC pp.

Thank you very much,

Vi 
University of Houston  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110530/eeb95881/attachment.html>