forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] Large-scale DFT calculations?

From: "Ichiro Nagano" <nagano@atrc.mhi.co.jp>
To: <forum@abinit.org>
Subject: [abinit-forum] Large-scale DFT calculations?
Date: Tue, 26 Nov 2002 10:18:46 +0900

Dear ABINIT users,

I would like to try more large-scale crystals (100-300 atoms in a unit
cell).
If it is possible fast and cost effectively, could you give me an advice?

Alternatively, should I use order-N method?

Thanks for any help,

Ichiro Nagano

********************************************************************
Advanced Technology Research Center, Mitsubishi Heavy Industries, Ltd.
8-1, Sachiura, 1-Chome, Kanazawa-ku, Yokohama, 236-8515, Japan
Ichiro Nagano
E-mail: <nagano@atrc.mhi.co.jp>
TEL: + 81 (45) 771-1222
FAX: + 81 (45) 771-3879

[abinit-forum] Large-scale DFT calculations?, Ichiro Nagano, 11/26/2002