[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
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.
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