Proper use of "phondisp2abi.py"

[cwolf]

Dear all,

I tried to calculate phonon dispersion with the tool chain supplied together with "Abinit". However, I constructed PAW potentials with reduced PAW radii and for the use of GGA (ixc=11) before starting E/V-curve calculations. Now it seems that I can not proceed with that choice of ixc=11. I'd rather not like to use another set of potentials.

Thus, tried to go on with "phonopy" and the "phondisp2abi" script by M. Verstraete. The TiO-example provided with "phonopy" is used. I am stuck when it comes to the generation of the "Abinit" input.

Procedure:
phonopy -d --dim="2 2 2"
I rename "disp.yaml" to "DISP" and run "phondisp2abi".

Error:
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "D:\WinPython-64bit-2.7.5.1\python-2.7.5.amd64\lib\site-packages\spyderlib\widgets\externalshell\sitecustomize.py", line 523, in runfile
execfile(filename, namespace)
File "D:\s\phondisp2abi.py", line 101, in <module>
xred[iatom-1] = xred[iatom-1] + dispred
ValueError: operands could not be broadcast together with shapes (3) (0)
>>>

Please let me know what I do wrong.

I attached the original POSCAR file, the output of "phonopy" and the "phondisp2abi" script as a *.tar archive renamed as *.pdf.

Christian