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convergence speed

From: "WANG Yuan Xu" <wang.yuanxu@nims.go.jp>
To: "Abinit all users" <forum@abinit.org>
Subject: convergence speed
Date: Sat, 9 Oct 2004 15:54:54 +0900

Dear Abinit all users,

Which option affect total energy convergence speed. When I calculate
23 atoms in a cell , it need about 30 iterations to convergence about
1.0d-6Ha.
I want optimize structure a surface slab, I found each Broden step, the total
energy convergence speed is slow.

Best

WANG Yuan Xu
National Institute for Materials Science
Computational Materials Science Center
Namiki 1-1, Tsukuba 305-0044, Japan
Phone +81-29-8513354-8092; Fax +81-29-8541207
wang.yuanxu@nims.go.jp
2004-10-09

convergence speed, WANG Yuan Xu, 10/09/2004
- <Possible follow-up(s)>
- Re: convergence speed, myid520, 10/09/2004
  - error in documentation --- PLS fix this {Re: [abinit-forum] Re: convergence speed]}, Steven Homolya, 10/10/2004
    - Re: error in documentation --- PLS fix this {Re: [abinit-forum] Re: convergence speed]}, Xavier Gonze, 10/14/2004