forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

iboxcut

From: "George Pau" <gpau@mit.edu>
To: forum@abinit.org
Subject: iboxcut
Date: Tue, 8 May 2007 11:42:06 -0400
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=beta; h=received:message-id:date:from:sender:to:subject:mime-version:content-type:content-transfer-encoding:content-disposition:x-google-sender-auth; b=ScrV4Jtjvn49fkod9Q1vxIGzkp0jOWkic5H5nOImjZaaBcafaycZ7D/AsA1i5zAKAh+Q56jAPqnO3P/m/tXWh4+UNIQlBiXV8WIxnC0fUo443jeDgPgaKqkDQe6yrE0TrBdnTab6oI8nBOfpKt4dn2VQCcPIdOVduCnKy9vt8rI=

Hi,

I would like to do multiple k-points calculations using a fixed set of
planewaves, i.e. the whole of the fft grid, say, instead of using
criteria based on ecut. It was suggested that I use iboxcut set to 1.
However, I am still getting different set of planewaves for different
k-points. Does anyone have any suggestion?

Thanks,
George

iboxcut, George Pau, 05/08/2007
- Re: [abinit-forum] iboxcut, Xavier Gonze, 05/08/2007