forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Finite E field

From: "P. Ganesh" <pganesh@ciw.edu>
To: forum@abinit.org
Subject: Finite E field
Date: Fri, 01 Feb 2008 08:21:07 -0500

Dear All,

I am trying to compute the relaxed ion piezo by applying a finite E field. After a few scf steps the program terminates with the following Warning:

scfcv (electric field calculation) : WARNING -
The difference between pel (electronic Berry phase updated
at each SCF cycle)
and pel_cg (electronic Berryphase computed using the berryphase routine) is
pdif_mod = 0.176249226E+01

Can someone please explain it to me?

Thanks,
Ganesh

Finite E field, P. Ganesh, 02/01/2008
- <Possible follow-up(s)>
- Finite E field, P. Ganesh, 02/02/2008
  - Re: [abinit-forum] Finite E field, P. Ganesh, 02/04/2008
  - Re: [abinit-forum] Finite E field, D. R. Hamann, 02/05/2008
    - Re: [abinit-forum] Finite E field, PGanesh, 02/05/2008