<div dir="ltr"><div><div><br>Dear Sir,<br></div>I installed the phonopy version 10.0 successfully but i put the command line it showing the error like this.<br></div>Please suggest me. <br><div><div><br>[ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c NaCl.struct -p band.conf<br> _ <br> _ __ | |__ ___ _ __ ___ _ __ _ _ <br> | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | |<br> | |_) | | | | (_) | | | | (_) || |_) | |_| |<br> | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, |<br> |_| |_| |___/<br> 1.10.0<br><br>Python version 2.7.11<br>Band structure mode<br>Settings:<br> Supercell: [2 2 2]<br> Primitive axis:<br> [ 0. 0.5 0.5]<br> [ 0.5 0. 0.5]<br> [ 0.5 0.5 0. ]<br>Spacegroup: Fm-3m (225)<br>Computing force constants...<br>Reciprocal space paths in reduced coordinates:<br>[ 0.00 0.00 0.00] --> [ 0.50 0.00 0.00]<br>[ 0.50 0.00 0.00] --> [ 0.50 0.50 0.00]<br>[ 0.50 0.50 0.00] --> [-0.00 -0.00 0.00]<br>[ 0.00 0.00 0.00] --> [ 0.50 0.50 0.50]<br>Traceback (most recent call last):<br> File "/home/IITJHOME/ambeshst/win2k13mpi/python/bin/phonopy", line 938, in <module><br> plot = phonon.plot_band_structure(symbols=settings.get_band_labels())<br> File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/phonopy/api_phonopy.py", line 510, in plot_band_structure<br> import matplotlib.pyplot as plt<br> File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/__init__.py", line 124, in <module><br> from matplotlib.rcsetup import (defaultParams,<br> File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/rcsetup.py", line 25, in <module><br> from matplotlib.fontconfig_pattern import parse_fontconfig_pattern<br> File "/home/IITJHOME/ambeshst/win2k13mpi/python/lib/python2.7/site-packages/matplotlib-1.5.0-py2.7-linux-x86_64.egg/matplotlib/fontconfig_pattern.py", line 25, in <module><br> from pyparsing import Literal, ZeroOrMore, \<br>ImportError: No module named pyparsing<br><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Mar 30, 2016 at 4:15 PM, Rajneesh Chaurasiya <span dir="ltr"><<a href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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>Dear Gavin.<br><br></div>as per your suggestion when i try to install the phonopy-1.10.5 the error looks like <br><br>File "setup.py", line 88<br> with open("phonopy/version.py") as w:<br> ^<br>SyntaxError: invalid syntax<br> <br></div>by giving the command line <br>[ambeshst@IITJ_HPC phono3py-1.10.5]$ python setup.py install<br><br></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Mar 29, 2016 at 3:44 PM, Rajneesh Chaurasiya <span dir="ltr"><<a href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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>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<span><br><br>raceback (most recent call last):<br></span> 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><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 href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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><br><div class="gmail_quote">On Sat, Feb 20, 2016 at 12:14 PM, Rajneesh Chaurasiya <span dir="ltr"><<a href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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 href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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 href="mailto:rajnano2012@gmail.com" target="_blank">rajnano2012@gmail.com</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 href="https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download" target="_blank">https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download</a> and it required the scf2forces which i get from <a href="http://www.wien2k.at/reg_user/unsupported/" target="_blank">http://www.wien2k.at/reg_user/unsupported/</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 href="http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface" target="_blank">http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface</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>
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</div></div></blockquote></div><br><br clear="all"><br></div></div>-- <br><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><span>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></div></div></div>
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</blockquote></div><br><br clear="all"><br>-- <br><div><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></div></div>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br><div><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></div></div>
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</div></div></blockquote></div><br><br clear="all"><br>-- <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></div></div>
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