Applying External Electric Field to quickstep MD

David Stelter base... at
Fri Aug 2 21:22:33 UTC 2013

Hi there,

I wish to apply a constant electric field of 20x10^-4 a.u. to my 
simulation. Currently I am using the EXTERNAL_POTENTIAL section with code:
       VALUES     2.0000000000000000E-03 #Atomic Units

However, I am experiencing exponential temperature increases. I have come 
to believe that the input is not in Atomic Units as I have used and I have 
accidently applied a much strongth external potential than expected. What 
units are needed for this section? (manual says eV/Ang which is NOT an 
electric field unit...)

Additionally, I have been told by a co-worker that it is possible to input 
a potential drop accros a given distance instead of an external potential 
in a given direction. If possible, could someone kindly direct me to the 
proper section of the manual.

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