[CP2K-user] GEOMETRY OPT not converge

[shixun sun]

Dear CP2K Community,
 Recently, I've performing Geometry Optimizations for my model with the 
input file written by me,  the model is graphene oxide generated randomly 
by code. However, I found it is hard to converge in opt, though I use PBE-D 
and dzvp BASIS.  Through the output,  the energy and force are basically 
decreasing but in the last few steps, it seems to vibrate and precarious. 
here are the last few steps 
*  Total energy:                                            
 -1749.41509473804945*

* ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):            
-1749.415094862594287*


*  Total energy:                                            
 -1749.37672182140795*

* *** WARNING in qs_scf.F:542 :: SCF run NOT converged ****


* ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):            
-1749.376720297097563*


*I attach the output, image of GO without geo-opt and input, *
*Can anyone please help me. Any help will be highly appreciated. *

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