[CP2K-user] [CP2K:19639] Finite temperature optimization

[Simone Ritarossi]

Dear users,

I have a problem with the use of CELL_OPT at temperatures other than 0K. 
Following CP2K's guide (I could not find any discussions on the subject on 
the web), I understood that I have to 1) set the RUN_TYPE CELL_OPT, 2) 
define TYPE MD in the CELL_OPT section and 3) define an MD section.  In the 
guide it says " * Two possible schemes are available: (1) Zero temperature 
optimization; (2) Finite temperature optimization*  ". 
However, I do not get the optimization. .
I attach here the input and output files. I cannot understand the error in 
the output (I cannot find anything similar on the web): the abort message 
is " CPASSERT failed -  motion/gopt_f77_methods.F:307"


Thank you for your time!


Simone Ritarossi

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