[Pw_forum] charge density difference

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Sun Jul 29 00:09:23 CEST 2007


On Sat, 28 Jul 2007, ÇÍÓÇä ÚÑíÞÇÊ wrote:

I> Dear pwscf users

I> I am trying to plot charge density difference (using
I> version 3.2).I can made IrO.charge ,Irclean .charge
I> and O.charge but when I tried to make charge density

[...]

I> Can someone help me 

not without additional information. 
please quote additional text before the
segfault message. please also post the
inputs to generate the three .charge files.
and finally, please always provide information 
about the platform you are running on (cpu, OS,
compiler etc.).

have you verified, that this is not a bug fixed
with the updates to 3.2?

cheers,
  axel.

I> regards
I> Ihsan
I> physics department 
I> Jordan
I> 
I> 
I> 
I>        
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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
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.




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