The ABINIT Users Mailing List ( CLOSED )

["D. R. Hamann" <drh@bell-labs.com>]

Dear Rongqin,

The relaxed-ion elastic tensor is the one which corresponds to
experimental measurements.  Take a look at Infos/Theory/lr.pdf
in 4.3.2 for a full discussion.

Don Hamann

Wu Rongqin wrote:

Dear all,

There are 2 elastic tensors from anaddb analysis, relaxed ion and clamped ion elastic tensor. So which one is the one to be reported in publication?
 
Regards

Rongqin 

-----Original Message-----
From: Fabien Bruneval [mailto:fabien.bruneval@polytechnique.fr] 
Sent: 2004年4月7日 15:10
To: forum@abinit.org
Subject: Re: [abinit-forum]

Dear Wu,
May you be more specific: may you give us your input file and specify 
whether it crashs during screening calcultation or during self-energy 
calculation ?
And also which version of abinit are you using ?
Regards

Fabien Bruneval


Wu Rongqin wrote:

  

Dear all,

When I tried to perform GWA calculation on a hexagonal lattice, but it 
stopped and gave out info like this:

1525-001 The READ statement on the file t69o_DS2_KSS cannot be 
completed because the end of the file was reached.  The program will stop.

The compilation of the code is successful passing the check 
Tutorial/t69.in.

Actually, I do not know why.

The k-mesh I used is

4         4  2

shift k 0.0  0.0  0.5

anybody can help?

 

Rongqin Wu

 

    

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D. R. Hamann				Phone: 908-582-4454
Director, Theoretical Materials    	Fax:   908-582-4702
  Physics Research (retired)		email: drh@physics.bell-labs.com
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