[CP2K-user] [CP2K:16643] cell optimization symmetry

[Mozhdeh Mohammadpour]

Dear CP2K community, 

I have done a GEO_OPT  for alpha glycine and then using the .xyz file of 
this calculation, I have done a CELL_OPT. Output file shows the convergence 
and final lattice parameters correctly (alpha=gamma=90, beta=110.083320), 
however, the resultant topology from .xyz file has different cell results, 
i. e. the beta angle reduced to 90 degrees (not Monoclinic anymore). 
Why does this happen? How can I get the correct topology file?
Please kindly find the attached files.

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