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
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