Dear All, Season Greetings!
Please, I am running calculations of polarization using Berry phase approach as implemented in quantum espresso for tetragonal phase of PbTiO_3. The results look a little bit strange for me. For unit cell, I am getting 0.94 C/m^2 of polarization whereas for super cell the polarization is 0.098 C/m^2. Please, Why such difference between unit cell & super cell? Thanks be to You for any help as well as suggestions. Cheers! Bruno
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