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Re: [abinit-forum] Partial DOS


Chronological Thread 
  • From: i.galanakis@fz-juelich.de
  • To: verstraete@pcpm.ucl.ac.be
  • Cc: forum@abinit.org
  • Subject: Re: [abinit-forum] Partial DOS
  • Date: Mon, 06 Jun 2005 17:22:53 +0300
  • Priority: normal

Dear Matthieu, I attach you the input, the output and the log files. This is
an example where I try to produce the p-DOS for the atom 17 (I also attach
the file with its DOS) starting from existing WFK and DEN files.The same
example for prtdos=2 works with no problem. I should also note that I am
using SUSE 9.2 as operating system [maybe the problem comes from there].
FInally I although I am doing the self-consistent calculation on a small
cluster, I am using a single workstation with a memory of 1GB to produce the
DOS (that's why I use mkmem=0 otherwise the program crashes.)
Best regards, Iosif

----- Original Message -----
From: verstraete@pcpm.ucl.ac.be
Date: Monday, June 6, 2005 2:15 pm
Subject: Re: [abinit-forum] Partial DOS

>
> Interesting. Send me input/output/log, as usual, please.
>
> mkmem=0 and parallel execution do not work for prtdos>1...yet.
>
> Matthieu
>
> --
> ================================================================
> Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be
> PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
> B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52
>
>

Attachment: example.tar.gz
Description: application/gzip-compressed




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