How to use smooth method to promote the convergence of the CUTOFF

Geng Sun sungen... at
Fri Apr 17 10:51:03 UTC 2015

Hello, CP2K users:

     I am studying a structure which contains water molecular and carbons. 
 I want to use BLYP functionals. 

     It seems that,  BLYP functionals need large CUTOFF to converge ( using 
the criterion in the tutorial ).  

     I have read some topics in this group. Someone has suggested that 
using the smooth method could promote the

     the convergence.  But How should I do this ?

   thank you !

Geng Sun
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