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["duan_semi" <abinit_duan@126.com>]

Hello everyone,

         I want to calculate the spontaneous polarization of ZnO . The attached  is the input file. After

calculation i get the following results:

  Computing the polarization (Berry phase) for reciprocal vector:
  0.00000  0.00000  0.16667 (in reduced coordinates)
  0.00000  0.00000  0.01736 (in cartesian coordinates - atomic units)
 From band number    1  to band number   18

 Summary of the results
 Electronic Berry phase     8.785423599E-01
            Ionic phase    -3.966504761E-01
            Total phase     4.818918837E-01
    Remapping in [-1,1]     4.818918837E-01

           Polarization     1.573749771E-02 (a.u. of charge)/bohr^2
           Polarization     9.004171942E-01 C/m^2
I do not know how to get the spontaneous polarization. Any suggestion will be helpful!

DeWei

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Attachment: zno.in
Description: Binary data