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Dear Eduardo,<br>
<br>
Thank you for the link. I will download it and take a look now :)
Thank you again.<br>
<br>
All the best,<br>
<br>
Ben<br>
<blockquote
cite="mid:CAM5Vcw_ms=wrxSMDwk=QkpcfUL6qy=pjuqrvLE6O_M6o++vHBA@mail.gmail.com"
type="cite">Dear Ben,<br>
If you want to do many calculations with different values and
shapes of the strain tensor, the following shell script may be
helpful. This is for hexagonal crystals, you can adapt it for BCC
or for any crystal structure. <br>
<br>
<a moz-do-not-send="true"
href="http://www.gnm.cl/wiki/index.php/Ejemplos/Script4">http://www.gnm.cl/wiki/index.php/Ejemplos/Script4</a><br>
<br>
---------- Mensaje reenviado ----------<br>
From: Ben Palmer <<a moz-do-not-send="true"
href="mailto:benpalmer1983@gmail.com">benpalmer1983@gmail.com</a>><br>
To: <a moz-do-not-send="true" href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a><br>
Cc: <br>
Date: Tue, 27 Nov 2012 17:31:49 +0000<br>
Subject: [Pw_forum] Putting a strain on a BCC<br>
Hi everyone,
<div><br>
</div>
<div>I have a BCC and I'd like to put a strain on it, but I want a
different strain in each direction. Can I specify for example
celldm(1)=1.02 celldm(2)=1 celldm(3)=1, or must all three
lengths be equal? Would I need to use another ibrav? Sorry if
there is a simple answer to this.</div>
<div><br>
</div>
<div>Thanks</div>
<div><br>
</div>
<div>Ben Palmer </div>
<div>PhD Student @ University of Birmingham</div>
<br clear="all">
<br>
-- <br>
<div><br>
</div>
<div><br>
</div>
Eduardo Menendez Proupin
<div>Departamento de Química Fisica Aplicada<br>
Facultad de Ciencias<br>
Universidad Autónoma de Madrid<br>
28049 Madrid, Spain<br>
</div>
<div>Phone: +34 91 497 6706</div>
<div><br>
</div>
<div>On leave from: Departamento de Fisica, Facultad de
Ciencias, Universidad de Chile URL: <a moz-do-not-send="true"
href="http://fisica.ciencias.uchile.cl/%7Eemenendez"
target="_blank">http://fisica.ciencias.uchile.cl/~emenendez</a><br>
</div>
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