[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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171102/9a720c75/attachment.html>
More information about the users
mailing list