[Pw_forum] Macroscopic Polarization

Mostafa Youssef myoussef at mit.edu
Sun Jul 3 10:56:48 CEST 2016


Dear Subhodip,

Check example04 provided with pw.x. You can find it  in:

/Espresso_folder/PW/examples/example04



>From README:
example04:
    This example shows how to calculate the polarization via Berry
    Phase in PBTiO3 (contributed by the Vanderbilt Group in Rutgers
    University).

I would also recommend this paper:
https://arxiv.org/abs/1202.1831



Mostafa
MIT
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