[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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