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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