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- From: <watermall@126.com>
- To: forum@abinit.org
- Subject: [abinit-forum] prtfsurf error
- Date: Wed, 10 Dec 2008 14:43:07 +0100 (CET)
Dear abinit users,
I want to calculate Fermi surface using abinit 5.6.3, and I get some
problems.
The following message is the problem:
===========================================
prtfsurf does not work with non-zero kpt shift
Action: set nshift 1 and shiftk 0 0 0
===========================================
However, I used nshiftk 1 and shiftk 0 0 0 in my input file. But when I try
to
use some lower version abinit, for example 5.4.4, it runs correctly.
Is it a bug in 5.6.3?
Cheng YC
Nanjing university
- [abinit-forum] prtfsurf error, watermall, 12/10/2008
- Re: [abinit-forum] prtfsurf error, Matteo Giantomassi, 12/10/2008
- Re: Re: [abinit-forum] prtfsurf error, watermall, 12/11/2008
- Re: Re: [abinit-forum] prtfsurf error, watermall, 12/11/2008
- [abinit-forum] ecutsm and electronic convergence, Emmanuel Arras, 12/11/2008
- Re: [abinit-forum] prtfsurf error, Matteo Giantomassi, 12/10/2008
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