[QE-users] Polarization calculation using nscf

Amar Singh amarsingh122014 at rediffmail.com
Tue Jun 21 09:07:04 CEST 2022


Hi,
My NSCF calculation on BaTiO3 resulted in a polarization value in o/p file as "P =  -0.2274527  (mod   0.5081493)  C/m^2" along {001} direction. 

How should I read this? Is the polarization 0.22 C/m^2? What is this number 0.508? 

Thanks 
Amar
 
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