Re: [Wien] wrap

2021-05-28 Thread Rubel, Oleg
You refer to an older version of BerryPI, which I do not have in place. I am inclined to think that the total phase is _not_ wrapped, but it would help to see your output tables (as below) before giving the exact answer. (please post to the list) As of WIEN2k v21, ionic and electronic phases

[Wien] wrap

2021-05-28 Thread shahrbano rahimi
Dear Prof. Rubel Oleg and WIEN2k users, I have a general question concerning Berry phase calculations. Would you, please, let me know that in the BerryPI package whether only the ionic and electronic parts of the phase are wrapped into the [-pi, pi] or the total phase is also wrapped into this