[QE-developers] fractional translations

Davide Ceresoli davide.ceresoli at cnr.it
Tue Dec 17 12:05:10 CET 2019


Dear QE developers,
     I've noticed the following change in 6.5:

* fractional translations "ftau" in FFT grid units no longer existing as global 
variables: replaced by "ft", in crystal axis, computed locally where needed (in 
real-space symmetrization only)

This change affects the symmetrization of chemical shifts of QE-GIPAW.

I've never been good in group theory and symmetry. Can you help me to recover
the behavior of QE pre-6.5?

Thank you in advance.

D.


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