Re: [SIESTA-L] Dipole correction + external E field

Sun, 10 Apr 2011 07:53:11 -0700

ExternalElectricField has a bug in siesta 3, and should be fixed in the next release. Nevertheless, as far as I understand, the SlabDipoleCorrection should work fine and it does not require the explicit call to ExternalElectricField.
(Both options are implemented in the same .F file and you can try to fix the bug, by comparing the file to siesta 2) 


1.  SlabDipoleCorrection  .true.
2.  %block ExternalElectricField
         0.0   0.0   1.0  V/Ang
     %endblock ExternalElectricField






















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