[Wien] scf2forces

[Rajneesh Chaurasiya]

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 at 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 <rajnano2012 at 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 <
> rajnano2012 at 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 <
>> 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
IIT,Jodhpur, India
Mob. No. +91-9584499697
              +91-7610950803
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160329/376f9f07/attachment.html>