[Wien] scf2forces

Rajneesh Chaurasiya rajnano2012 at gmail.com
Tue Feb 16 10:49:23 CET 2016


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 <rajnano2012 at 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
ABV-IIITM, Gwalior, India
Mob. No. +91-9584499697
              +91-8435727031
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