[CP2K-user] [Feature request] CIF file after geometry/cell optimization

Anton Kudelin archm... at gmail.com
Tue Jan 15 16:53:58 UTC 2019

Dear developers,

Is it possible to add a feature to write a CIF file containing cell 
vectors, fractional coordinates and symmetry at the final optimization 
step? Rebuilding structures by hand requires a lot of steps and very 

Thanks in advance,
Anton K.
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