Optimizing Geometry AND Unitary cell

Henrique Junior henri... at gmail.com
Sat Aug 26 21:38:43 UTC 2017

Dear colleagues,
I’m new to CP2K and I’m going to perform a geometric optimization in my 
crystalline structure (to calculate vibrational frequencies, also using 
CP2K). In my geometric optimization, I need to, also, optimize the size of 
my unitary cell BUT I’d like to specify a range in which the cell is 
allowed to expand (or contract, of course). Is this possible? Can someone 
point me to any example?

Thank you for any help.
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