[Pw_forum] the question of el-ph

[Axel Kohlmeyer]

On Wed, 25 Feb 2009, wang yanchao wrote:

YW> Dear All,
YW> 
YW> When I calculate the el-ph using the espresso-2.1.5, a very dense mesh is

quantum espresso version 2.1.5 was released three and a half years ago.

i seriously doubt that anybody is even remotely interested 
in discussing any problems with that version. please check
out the current version first.

cheers,
   axel.

YW> used to get goog convergence. I have changed the value of npk in parameters.
YW> I beleve it is enough big to our calculation. But when I calculate the
YW> q-point of no symmetry, the results were not saved to output file.
YW> The output follow:
YW> "  ........
YW>     Atomic displacements:
YW>      There are   6 irreducible representations
YW> 
YW>      Representation     1      1 modes - To be done
YW> 
YW>      Representation     2      1 modes - To be done
YW> 
YW>      Representation     3      1 modes - To be done
YW> 
YW>      Representation     4      1 modes - To be done
YW> 
YW>      Representation     5      1 modes - To be done
YW> 
YW>      Representation     6      1 modes - To be done
YW>      PHONON       : 10m 9.50s CPU time"
YW> 
YW> The  other content isn't shown in the file.
YW> 
YW> So I want to know if there is some limitation of output file in
YW> espresso-2.1.5.
YW> 
YW> Thanks in advance.
YW> 
YW> Sincerely
YW> 
YW> Yanchao
YW> 
YW> 

-- 
=======================================================================
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.