forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: "Amancherla, Sundar (CORP, GEITC)" <Sundar.Amancherla@geind.ge.com>
- To: <forum@abinit.org>
- Cc: <natalie@wfu.edu>
- Subject: atompaw2abinit
- Date: Thu, 16 Oct 2003 15:24:00 +0530
I am trying to use atompaw to get a paw potential for Y. Prof Holzwarth was
kind enough to send me an input file for Y. The rc used is 3.0. I am getting
these messages after running atompaw2abinit -
--------------
Info:
Max. value of mesh size for Vloc=Vhnzc(r) has been reached.
Vhnzc( 3000)= -Z/r+ -7.320E-06
Precision of Vloc in Abinit's psp file will be poor.
Possible action: increase sphere radius.
--------------
Pls do let me know any comments / suggestions that you may have. Thanks very
much
--
Aman
- atompaw2abinit, Amancherla, Sundar (CORP, GEITC), 10/16/2003
- <Possible follow-up(s)>
- Re: atompaw2abinit, marc . torrent, 10/16/2003
Archive powered by MHonArc 2.6.16.