Strange behaviour by molecule in Electric field
pkmis... at gmail.com
Fri Nov 8 10:10:51 CET 2013
As per my fundamental knowledge, polar molecule can rotate in electric
field, not translate. Being more precise, here i am talking about 1
molecule in non-periodic box. I didn't find any force to move in the field.
Even non-polar molecule and single atom (H and Ne) are also translating in
EF in CP2K. In the case of water cluster, the center of mass of whole
system is translating. I have not found such behavior in other package like
This is a very serious issue for me. Please try to suggest something if i
am missing anything in my input.
On Thursday, 7 November 2013 20:23:58 UTC+1, Matt W wrote:
> just wondering: why would you not expect a polar molecule to move in an
> electric field?
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