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Dear Rajneesh!<br>
<br>
If you want to execute <br>
phonopy --wien2k -c NaCl.struct -d --dim="2 2 2" <br>
you must have struct file which is called "NaCl.struct". <br>
Please type <br>
ll -rt <br>
in your commandline and post the result in the mailinglist.<br>
<br>
Kind regards<br>
Magdalena<br>
<br>
<div class="moz-cite-prefix">Am 29.03.2016 um 12:14 schrieb Rajneesh
Chaurasiya:<br>
</div>
<blockquote
cite="mid:CAOsEhO-_gFd3XVS=eS+YCD0LxnRE_SeFXhiT8bOx+jnih7qoXg@mail.gmail.com"
type="cite">
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<div>Dear Gavin,<br>
<br>
I think, I installed the Phonopy successfully and set the
Path correctly. but when i give the command <br>
<br>
[ambeshst@IITJ_HPC tests]$ phonopy --wien2k -c NaCl.struct
-d --dim="2 2 2"<br>
<br>
</div>
It showing the syntax error<br>
<br>
raceback (most recent call last):<br>
File
"/home/IITJHOME/ambeshst/win2k13mpi/python35/bin/phonopy",
line 496, in <module><br>
from phonopy.interface.wien2k import
write_supercells_with_displacements<br>
File
"/home/IITJHOME/ambeshst/win2k13mpi/python35/lib/python3.5/site-packages/phonopy/interface/wien2k.py",
line 65<br>
print "%s contains only forces of %d atoms" % (<br>
^<br>
SyntaxError: invalid syntax<br>
<br>
<br>
</div>
Please give me your ideas why it is showing this error. <br>
<div>
<div> <br>
</div>
</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Tue, Mar 29, 2016 at 11:39 AM,
Rajneesh Chaurasiya <span dir="ltr"><<a
moz-do-not-send="true" href="mailto:rajnano2012@gmail.com"
target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:rajnano2012@gmail.com">rajnano2012@gmail.com</a></a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">
<div>
<div>
<div>Dear Gavin,<br>
<br>
</div>
I have again installed the Python 3.5 and Phonopy in
my HPC as per your suggestion but it couldn't work
properly.<br>
<br>
</div>
I follow the steps as per your previous guidelines.<br>
<br>
</div>
<div>I got the following error <br>
<br>
<br>
-bash: phonopy: command not found<br>
<br>
</div>
<div>When i give the command <br>
<br>
[ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c
NaCl.struct -d --dim="2 2 2" <br>
<br>
</div>
<div>Please aware me for my mistakes <br>
</div>
</div>
<div class="gmail_extra">
<div>
<div class="h5"><br>
<div class="gmail_quote">On Sat, Feb 20, 2016 at 12:14
PM, Rajneesh Chaurasiya <span dir="ltr"><<a
moz-do-not-send="true"
href="mailto:rajnano2012@gmail.com"
target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:rajnano2012@gmail.com">rajnano2012@gmail.com</a></a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div>
<div dir="ltr">
<div class="gmail_quote"><br>
<div dir="ltr">
<div>
<div>Dear gavin,<br>
<br>
</div>
I have modified the .bashrc file,
which i am attaching through this mail
and also the some one image file which
contains the file inside the python
folder.<br>
<br>
</div>
please find the attached files and give
your suggestions..<br>
</div>
<div>
<div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Tue, Feb
16, 2016 at 3:19 PM, Rajneesh
Chaurasiya <span dir="ltr"><<a
moz-do-not-send="true"
href="mailto:rajnano2012@gmail.com"
target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:rajnano2012@gmail.com">rajnano2012@gmail.com</a></a>></span>
wrote:<br>
<blockquote class="gmail_quote"
style="margin:0 0 0
.8ex;border-left:1px #ccc
solid;padding-left:1ex">
<div dir="ltr">
<div>
<div>I have modified the
file according to your
suggestion but still there
is same error...<span><br>
<br>
Traceback (most recent
call last):<br>
File
"/home/IITJHOME/ambeshst/win2k13mpi/phonopy",
line 40, in ?<br>
from phonopy import
*<br>
ImportError: No module
named phonopy<br>
<br>
<br>
</span></div>
I am attaching the .bashrc
file so please check whether
this is correct or not..<br>
</div>
please suggest your
suggestion..<br>
<div>
<div><br>
</div>
</div>
</div>
<div class="gmail_extra">
<div>
<div><br>
<div class="gmail_quote">On
Sat, Feb 13, 2016 at
12:38 PM, Rajneesh
Chaurasiya <span
dir="ltr"><<a
moz-do-not-send="true"
href="mailto:rajnano2012@gmail.com" target="_blank"><a class="moz-txt-link-abbreviated" href="mailto:rajnano2012@gmail.com">rajnano2012@gmail.com</a></a>></span>
wrote:<br>
<blockquote
class="gmail_quote"
style="margin:0 0 0
.8ex;border-left:1px
#ccc
solid;padding-left:1ex">
<div dir="ltr"><br
clear="all">
<br>
Dear Gavin,<br>
<br>
I have installed
newer version of
phonopy package <a
moz-do-not-send="true"
href="https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download"
target="_blank"><a class="moz-txt-link-freetext" href="https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download">https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download</a></a>
and it required the
scf2forces which i
get from <a
moz-do-not-send="true"
href="http://www.wien2k.at/reg_user/unsupported/" target="_blank"><a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/unsupported/">http://www.wien2k.at/reg_user/unsupported/</a></a>
but it showing the
error, which i have
seen in the previous
message. but as per
your suggestion if i
use he experimental
support option in
Phonopy 1.10.0 [ <a
moz-do-not-send="true"
href="http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface"
target="_blank"><a class="moz-txt-link-freetext" href="http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface">http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface</a></a>
]: means phonopy
--wien2k -f
case-001.scf
case-002.scf then it
showing error some
error.<br>
<br>
<br>
Traceback (most
recent call last):<br>
File
"/home/IITJHOME/ambeshst/win2k13mpi/phonopy",
line 40, in ?<br>
from phonopy
import *<br>
ImportError: No
module named phonopy<br>
<br>
<br>
so i dont know that
the installed
phonopy is
compatible with the
wien2k or not.<br>
<br>
please give me your
ideas why this is
happening. <br>
</div>
</blockquote>
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<br>
<span></span></div>
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-- <br>
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr"><span class="">Thanks &
Regards
<div>Rajneesh Chaurasiya</div>
<div>Junior Research Fellow</div>
</span>
<div>IIT,Jodhpur, India<br>
</div>
<div>Mob. No. +91-9584499697<br>
+91-7610950803<br>
</div>
</div>
</div>
</div>
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-- <br>
<div class="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">Thanks & Regards
<div>Rajneesh Chaurasiya</div>
<div>Junior Research Fellow</div>
<div>IIT,Jodhpur, India<br>
</div>
<div>Mob. No. +91-9584499697<br>
+91-7610950803<br>
</div>
</div>
</div>
</div>
</div>
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<br>
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