Dear Rajneesh!

If you want to execute
 phonopy --wien2k -c NaCl.struct -d --dim="2 2 2"
you must have struct file which is called "NaCl.struct".
Please type
ll -rt
in your commandline and post the result in the mailinglist.

Kind regards
Magdalena

Am 29.03.2016 um 12:14 schrieb Rajneesh Chaurasiya:
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 <mailto: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 <mailto: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 <mailto: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 <mailto: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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