[Wien] scf2forces

[Rajneesh Chaurasiya]

Dear Gavin.

as per your suggestion when i try to install the phonopy-1.10.5 the error
looks like

File "setup.py", line 88
    with open("phonopy/version.py") as w:
            ^
SyntaxError: invalid syntax

by giving the command line
[ambeshst at IITJ_HPC phono3py-1.10.5]$ python setup.py install


On Tue, Mar 29, 2016 at 3:44 PM, Rajneesh Chaurasiya <rajnano2012 at gmail.com>
wrote:

> Dear Gavin,
>
> I think, I installed the Phonopy successfully and set the Path correctly.
> but when i give the command
>
> [ambeshst at 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 <
> rajnano2012 at 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 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
>>
>
>
>
> --
> 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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