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 interval. By this I mean that if the total phase after summing the wrapped ionic and electronic parts became larger than pi or smaller than -pi, whether the BerryPI package also wraps the total phase into the interval [-pi, pi] or leaves it to be located outside of the interval? The BerryPI version: 1.4.0 (May 25, 2018) The Wien2k version:18.2 Sincerely,
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