<div dir="ltr"><div><div>Dear Sir, Prof. Gavin<br><br></div>Thanks a lot for solving my problem, now it is working.<br><br> But, Now I got stuck at STEP 1.2. (Given Below) <br><p style="margin-bottom:0cm">STEP 1.2:
</p>
<p style="margin-bottom:0cm"> Calculate the energy or stress
tensor of deformed structure using one of the mentioned DFT
</p>
<p style="margin-bottom:0cm"> codes.
</p>
<p style="margin-bottom:0cm"> NOTICE to "WIEN2k"
users:
</p>
<p style="margin-bottom:0cm"> A shell script program is provided
under the name "ElaStic_WIEN2k_init" which allows you
</p>
<p style="margin-bottom:0cm"> to initialize the deformed
structures automatically.
</p>
<p style="margin-bottom:0cm"> Before executing this program, you
must specify input variables of "WIEN2k" calculations.
</p>
<p style="margin-bottom:0cm"> It is recommended to copy this
file to the directory where "Dst??" directories, e.g.
Dst01,
</p>
<p style="margin-bottom:0cm"> exist. Then, modify line 23 of
this program according to the accuracy of your calculations.
</p>
<p style="margin-bottom:0cm"> The "WIEN2k_init_lapw_silent"
script is the modified script file of the "init_lapw"
program.
</p>
<p style="margin-bottom:0cm"> You find FLAGS of
"WIEN2k_init_lapw_silent" program if you write following
command in terminal:
</p>
<p style="margin-bottom:0cm"> $ WIEN2k_init_lapw_silent -H</p><p style="margin-bottom:0cm">Please tell me above in detail. so that i can use this package. I will be highly obliged to You.</p><p style="margin-bottom:0cm">
<br></p><p style="margin-bottom:0cm">Sincerely yours</p><p style="margin-bottom:0cm">Rishi<br></p><p style="margin-bottom:0cm"><br></p><p style="margin-bottom:0cm"><br></p><p style="margin-bottom:0cm"><br>
</p></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Sun, Jul 14, 2013 at 2:29 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<div>The error 'No module named numpy' is
most likely because Python numpy is not installed. Make sure it
is installed (sudo apt-get install python-numpy).<div><div class="h5"><br>
<br>
On 7/14/2013 1:27 AM, Rishi Singh wrote:<br>
</div></div></div><div><div class="h5">
<blockquote type="cite">
<div dir="ltr">Dear Wien2k users and developers<br>
<div class="gmail_quote">
<div dir="ltr">
<div>
<div>
<div><br>
</div>
I am interested in evaluation of second and third oorder
elastic constants.<br>
<br>
</div>
<div>I am using Sony Vio Corei5, RAM 4GB and HD 500GB with
OS UBUNTU <br>
</div>
I have tried to compile ElaStic 1.0 package using the
directions in "README" in ElaStic directory. <br>
<br>
</div>
I have completed the following things<br>
1. /home/dir1/dir2/ElaStic <br>
<p style="margin-bottom:0cm"> 2..$ tar xfvp adon_v1_0.tar.gz
</p>
<p style="margin-bottom:0cm"> $ cd SpaceGroups </p>
<p style="margin-bottom:0cm"> $ make </p>
<p style="margin-bottom:0cm"> $ cp sgroup $ElaSticROOT </p>
<div>
<div>
<div>
<div><br>
</div>
<div>Now when i am trying the next step ( $
ElaStic_Setup)<br>
</div>
<div>It is asking <br>
<br>
+-----------------------------------------------------------------+<br>
|*****************************************************************|<br>
|*
*|<br>
|* WELCOME TO THE ElaStic
CODE *|<br>
|* ElaStic Version 1.0.0, Release Date:
2012-01-01 *|<br>
|*
*|<br>
|*****************************************************************|<br>
+-----------------------------------------------------------------+<br>
<br>
Which DFT code would you like to apply for the
calculations? <br>
exciting ---------=>
1 <br>
WIEN2k ---------=>
2 <br>
Quantum ESPRESSO --=> 3<br>
>>>> Please choose (1, 2, or 3): 2<br>
<br>
</div>
<div>I have choose 2. But it is giving the following
error<br>
</div>
<div>Traceback (most recent call last):<br>
File "ElaStic_Setup_WIEN2k", line 22, in
<module><br>
from numpy import *<br>
ImportError: No module named numpy.<br>
<br>
</div>
<div>Please help me.<br>
<br>
<br>
</div>
<div>Kind regard<span><font color="#888888"><br>
</font></span></div>
<span><font color="#888888">
<div>
Rishi<br>
</div>
</font></span></div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
<br>
</div></div></div>
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