[Pw_forum] Selecting vales for doing Electric field calcualtions

Mohammed Ghadiyali m786g at live.co.uk
Thu Nov 2 09:34:24 CET 2017


Dear all,


I intend to do calculations on a bilayer system with perpendicular electric field applied to it, as per the documentation and few forum post I am required to do following modifications:

&CONTROL
  tefield               =       .true.,
  dipfield             =       .true.,
&SYSTEM
  emaxpos           =       0.5D0,
  eopreg              =       0.1D0,
  edir                    =       3, ! To set z direction
  eamp                 =       0.0105,

But I not sure as how to select the values of emaxpos and eopreg, can any one inform as how it is required to be set.

Regards,
Ghadiyali Mohammed Kader,
Research Scholar,
Dept. of Physics,
University of Mumbai.
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