forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: <mozhganamini@yahoo.com>
- To: forum@abinit.org
- Subject: [abinit-forum] PAW overlapping!
- Date: Fri, 5 Feb 2010 15:43:11 +0100 (CET)
Dear Abinit users,
I've done relaxation of atomic positions for CdO with impurity atom,
first I did it with 12e paw dataset for Cd and
then I tried 20e paw dataset, But this time I had overlapping and program
stops!
(I should also say that, in paw dataset cutoff radius of 20e is smaller than
12e!)
do you know what can be the reason and what should I do!?
Best Regards,
Mozhgan
- [abinit-forum] PAW overlapping!, mozhganamini, 02/05/2010
- Re: [abinit-forum] PAW overlapping!, Josef Zwanziger, 02/05/2010
- Re: [abinit-forum] PAW overlapping!, Mozhgan Amini, 02/06/2010
- Re: [abinit-forum] PAW overlapping!, Josef Zwanziger, 02/05/2010
Archive powered by MHonArc 2.6.16.