[CP2K-user] Free surface creation

Rajorshi Chattopadhyay rajors... at gmail.com
Mon Nov 16 18:24:50 UTC 2020

Hi all,
This is Rajorshi from IIT Kharagpur. I am trying to create a free surface 
of silicon dioxide in order to simulate contact angle between water and 
silicon dioxide. Only the molecules on one face of the surface interacts 
with water molecules while the molecules on the other face remain fixed. 
iWhile I know how to create cubical simulation boxes, I have no idea how to 
create a free surface. Can anyone please help me out ? Thanks in advance.
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