[SIESTA-L] siesta: Electric dipole

Wed, 02 Mar 2011 03:50:55 -0800 

Hi, everybody:
      In the output file of my calculations:
siesta: Electric dipole (a.u.)  =       0.000000    0.000000    1.701059
siesta: Electric dipole (Debye) =    0.000000    0.000000    4.323664
      I don't know why the Electric dipole is not zero . Dose it affect the 
total energy of the system. Do we have to correct the total energy by some 
methods ?  I calculated the ZnO polar surface.
     Thanks !
          Hang

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