Dear Gavin, I think, I installed the Phonopy successfully and set the Path correctly. but when i give the command
[ambeshst@IITJ_HPC tests]$ phonopy --wien2k -c NaCl.struct -d --dim="2 2 2" It showing the syntax error raceback (most recent call last): File "/home/IITJHOME/ambeshst/win2k13mpi/python35/bin/phonopy", line 496, in <module> from phonopy.interface.wien2k import write_supercells_with_displacements File "/home/IITJHOME/ambeshst/win2k13mpi/python35/lib/python3.5/site-packages/phonopy/interface/wien2k.py", line 65 print "%s contains only forces of %d atoms" % ( ^ SyntaxError: invalid syntax Please give me your ideas why it is showing this error. On Tue, Mar 29, 2016 at 11:39 AM, Rajneesh Chaurasiya <rajnano2...@gmail.com > wrote: > Dear Gavin, > > I have again installed the Python 3.5 and Phonopy in my HPC as per your > suggestion but it couldn't work properly. > > I follow the steps as per your previous guidelines. > > I got the following error > > > -bash: phonopy: command not found > > When i give the command > > [ambeshst@IITJ_HPC NaCl-wien2k]$ phonopy --wien2k -c NaCl.struct -d > --dim="2 2 2" > > Please aware me for my mistakes > > On Sat, Feb 20, 2016 at 12:14 PM, Rajneesh Chaurasiya < > rajnano2...@gmail.com> wrote: > >> >> Dear gavin, >> >> 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. >> >> please find the attached files and give your suggestions.. >> >> On Tue, Feb 16, 2016 at 3:19 PM, Rajneesh Chaurasiya < >> rajnano2...@gmail.com> wrote: >> >>> I have modified the file according to your suggestion but still there is >>> same error... >>> >>> Traceback (most recent call last): >>> File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ? >>> from phonopy import * >>> ImportError: No module named phonopy >>> >>> >>> I am attaching the .bashrc file so please check whether this is correct >>> or not.. >>> please suggest your suggestion.. >>> >>> >>> On Sat, Feb 13, 2016 at 12:38 PM, Rajneesh Chaurasiya < >>> rajnano2...@gmail.com> wrote: >>> >>>> >>>> >>>> Dear Gavin, >>>> >>>> I have installed newer version of phonopy package >>>> https://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz/download >>>> and it required the scf2forces which i get from >>>> http://www.wien2k.at/reg_user/unsupported/ 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 [ >>>> http://atztogo.github.io/phonopy/wien2k.html#wien2k-interface ]: means >>>> phonopy --wien2k -f case-001.scf case-002.scf then it showing error some >>>> error. >>>> >>>> >>>> Traceback (most recent call last): >>>> File "/home/IITJHOME/ambeshst/win2k13mpi/phonopy", line 40, in ? >>>> from phonopy import * >>>> ImportError: No module named phonopy >>>> >>>> >>>> so i dont know that the installed phonopy is compatible with the >>>> wien2k or not. >>>> >>>> please give me your ideas why this is happening. >>>> >>> >>> > > > -- > Thanks & Regards > Rajneesh Chaurasiya > Junior Research Fellow > IIT,Jodhpur, India > Mob. No. +91-9584499697 > +91-7610950803 > -- Thanks & Regards Rajneesh Chaurasiya Junior Research Fellow IIT,Jodhpur, India Mob. No. +91-9584499697 +91-7610950803
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