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<p>Dear QE users,<br /><br />I am trying to replicate the results from the paper titled "Binary Compound Bilayer and Multilayer with<br /> Vertical Polarizations: Two-Dimensional<br /> Ferroelectrics, Multiferroics, and<br /> Nanogenerators". The polarization value for the bilayer BN system mentioned in the paper is 2.08*10^-12 C/m. However my calculations gave me (from the nscf.out ) a polarization value of P = -0.0020739 (mod 2.9256472) C/m^2. <br />How should I convert from C/m2 to C/m?<br /><br />Cell parameters info:<br />CELL_PARAMETERS (alat= 1.88972599)<br /> 2.513711866 -0.000000068 0.000000000<br /> -1.256855992 2.176938532 0.000000000<br /> 0.000000000 0.000000000 16.000000000<br />ATOMIC_POSITIONS (crystal)<br />B 0.333332781 0.666666519 0.596149597<br />B 0.000000185 -0.000000058 0.403836693<br />N 0.666665010 0.333334212 0.596434719<br />N 0.333335024 0.666666327 0.403578991<br /><br />Thank you.<br /><br />Sincerely,<br /><br /></p>
<p>Jainandan Modi<br />Ph.D. Scholar,<br />EE Department<br />IIT Kanpur</p>
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