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Re: [abinit-forum] Problem in prtdos = 3

From: Matthieu Verstraete <mjv500@york.ac.uk>
To: forum@abinit.org
Subject: Re: [abinit-forum] Problem in prtdos = 3
Date: Tue, 9 Oct 2007 21:12:46 +0100 (BST)

It appears that for complicated structures with many atoms the prtdos=3 is not working right. I am using v5.4.2.

You haven't really described what you _do_ get. It could be that there is a bug somewhere for the case of more than 1 atom type, but I would be surprised. What are you expecting? Moments on the Cr only?

And as usual nettiquette! platform, os, compiler, and are you running in parallel?

Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

about dos and integrated dos, shinekin, 10/09/2007
- Re: [abinit-forum] about dos and integrated dos, Matthieu Verstraete, 10/09/2007
  - Problem in prtdos = 3, PGanesh, 10/09/2007
    - Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/09/2007
      - Re: [abinit-forum] Problem in prtdos = 3, PGanesh, 10/09/2007
        
        Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007
        
        Re: [abinit-forum] Problem in prtdos = 3, Takeshi Nishimatsu, 10/10/2007
        
        how to input hexagonal lattices, jian sun, 10/10/2007
        Re: [abinit-forum] how to input hexagonal lattices, Xavier Gonze, 10/10/2007
        RE: [abinit-forum] how to input hexagonal lattices, jian sun, 10/10/2007
        
        Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007
        
        Re: [abinit-forum] Problem in prtdos = 3, PGanesh, 10/10/2007
        
        Re: [abinit-forum] Problem in prtdos = 3, Takeshi Nishimatsu, 10/10/2007
        Re: [abinit-forum] Problem in prtdos = 3, Matthieu Verstraete, 10/10/2007