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Re: [abinit-forum] error occurs when generating elastic constants

From: Yong Liu <yongliu.yl@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] error occurs when generating elastic constants
Date: Sat, 14 Feb 2009 09:20:50 +0100
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Attachment.

2009/2/14 <yongliu.yl@gmail.com>

Dear abinitors,

When I want to calculate the elastic constants of aluminium using telast_6
files, an unexpected error occurs. I can not use parameters elaflag 3 and
instrflag 1 to generate the relaxed- and clamped-ion elastic values. It stops
unexpectedly with a comment "** On entry to ZHPEV parameter number 7 had an
illegal value". But when I set elaflag 1 and instrflag 0, it works well. I
believe I have set rfatpol and rfdir to do a full calculation at Q=0 point. I
have no idea what's wrong with it. Please find the input and output files in
the attachment. Thank you in advance.

Sincerely,
Yong

Attachment: elastic.tar.gz
Description: GNU Zip compressed data

[abinit-forum] error occurs when generating elastic constants, Yong Liu, 02/13/2009
- <Possible follow-up(s)>
- [abinit-forum] error occurs when generating elastic constants, yongliu.yl, 02/14/2009
  - Re: [abinit-forum] error occurs when generating elastic constants, Yong Liu, 02/14/2009
  - Re: [abinit-forum] error occurs when generating elastic constants, D. R. Hamann, 02/14/2009