forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] electron density of states

From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] electron density of states
Date: Mon, 16 Jul 2007 09:18:57 +0200
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=beta; h=received:message-id:date:from:to:subject:in-reply-to:mime-version:content-type:references; b=ELvLfXVrAW+2E85o/XFFycKXhK2OMSO6+jW8amHZs6vo923lfbdq986BNuEImKtYOaUsBAXXcxXytLKWP6EqD3BXp2R6AvgbkzPS02+lnaqCJ+NRv1xYLfCxW+54JhKpBBP8l7GA+FIqkQyymb25SaTWYW/HMtVlgHi/hElV6bo=

Dear Hua Bao,

I'm not sure of what you mean by electron density of state. Yet to know what is currently implemented into Abinit you have a few ways:
- You can check the tutorials: they demonstrate many features of Abinit
- You can read the README files in each tests subdirectory. They contain descriptions of tests and thus description of algoritms implemented into Abinit.
- You can read the documentation of Abinit especially the release notes that you can find at
~ABINIT/Infos/Release_notes/release_notes_*.html. They decribes all changes in the code.

Best,

PMA

On 7/13/07, Hua Bao < hbao@purdue.edu> wrote:

Dear abinit-users,

Electron density of state should be able to be derived directly from KS
band structure. Does this function implement in abinit? How to do that?

BTW, if I need to calculate a special physical property, how can I know
whether it is implement in abinit?
How can I find related variables or packages?

Thanks,
Hua

--
Pierre-Matthieu Anglade

electron density of states, Hua Bao, 07/13/2007
- Re: [abinit-forum] electron density of states, Anglade Pierre-Matthieu, 07/16/2007
- Re: [abinit-forum] electron density of states, Xavier Gonze, 07/22/2007