[Pw_forum] error got by using program pp.x to deal with the input file

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Wed Jan 21 19:05:53 CET 2009


On Thu, 22 Jan 2009, Weiguang Chen wrote:

WC> Hi,
WC> Thank you for your fast reply.
WC> I am a newbie about pwscf and i want to know what parameter should
WC> been modified. Could you tell me more detail why this problem happen?

i don't understand your question: this is actually an
error message that is not kryptic and tells you exactly
what is wrong: for the kind of postprocessing that you
want to do, the use gaussian broadening in the preceding 
calculation is required. 

as simple as that. ;-)

axel.

WC> 
WC> Thanks
WC> 
WC> ChenWeiguang
WC> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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