The ABINIT Users Mailing List ( CLOSED )

[Masayoshi Mikami <mmikami@yk.rim.or.jp>]

Hello,

Please read the following two e-mails:
http://www.abinit.org/wws/arc/forum/2003-02/msg00025.html
http://www.abinit.org/wws/arc/forum/2003-02/msg00026.html (Merci, Matthieu !)

I had included this Q&A to the forthcoming FAQ ...
(Sooner or later, it will appear. Thank you for your patience !)

By the way, it might be a very good idea for those who posted 
their questions to the "forum" ML to to post summaries.
(I come to have such feeling when I checked the "forum" archive.)
The summary could be included as a part of the FAQ, 
then those who write summaries could contribute to ABINIT
in this way ... Thank you for your corporation in advance !

Best wishes,
Masayoshi


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Subject: [abinit-forum] Density of states
From: priya-g@umail.ucsb.edu
To: forum@abinit.org
Date: Sat, 5 Apr 2003 02:15:23 +0200

Hi All,
  This may be a silly question. Actually, I am calculationg total energy 
calculations for a magnetic system. I start off by claiming that the 
materials is going to be a metal. occopt3. The system relaxes to an 
insulating one after the energy is minimised. Using, the density file for 
this, can i calculate the density of states by running a non-scf calculation 
again? 
  To print out the DOS , the occopt must necessarily be 4. I dont know if 
this is ok to do..

      --Priya
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