Periodic DFT calculation with B3LYP

[Abhishek Bagusetty]

Hi All,

I am trying to do a single point energy calculation of a graphene based 
system using B3LYP hybrid functional and have been constantly getting this 
warning. Although the WARNING is pretty descriptive but any corrections to 
the concerned section did not yield any fruitful results. 

A quick summary of the system and calculations - Graphene based system with 
PERIODIC in XYZ. Single Point Energy calculations are performed with B3LYP 
level of theory. I have looked into the test cases for hybrid functions but 
haven't made any progress with that. 

I have attached the input and output file and any pointers related to this 
issue is greatly appreciated. 

*** 23:45:43 WARNING in hfx_types:hfx_create_neighbor_cells :: Periodic   
***

*** Hartree Fock calculation requested without use of a truncated or      
***

*** shortrange potential. This may lead to unphysical total energies. Use 
***

*** a truncated  potential to avoid possible problems. hfx_types.F line   
***

*** 1436                                                                  
***


Thanks !
Abhishek
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