[CP2K-user] SCF convergence issues: a molecule consisting of eight atoms can not be optimized normally

[Dragon Don]

Hi, guys! 
I am calculating the binding energy and delta G for the adsorption of a 
molucule onto graphene. The optimization of graphene and their composite 
was done, while the same parameters do not seems work for the  molecule 
optimization. i thought it was the E-cutoff is too small, so i changed the 
E-cutoff from 400 to 800Ry, yet it does not help at all. would you please 
give me a hand, I appreacite it! 

here is my input:
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210604/f43a49c4/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Na2S6-2.inp
Type: chemical/x-gamess-input
Size: 2404 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210604/f43a49c4/attachment.inp>