CELL_REF

simin pahlavi simin.... at gmail.com
Tue Jul 24 10:10:31 UTC 2018


Hello Cp2k users

I have a question about CELL_REF  and I appreciate it if you reply me with 
the answer.
If during the NPT simulation, the box length and volume decreases, one 
should set the CELL_REF to the final small box length? or just this 
CELL_REF works in the situation  where the Box length increases during the 
simulation?
Thanks in advance 
Simin
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