[CP2K:2855] problems using HSE as a hybrid functional.

Rizwan Nabi rizwan... at gmail.com
Tue Nov 3 09:40:33 UTC 2015

Hi petkov,
I am trying to do calculations for my metal cluster using B3LYP FUNCTIONAL, 
but I am facing same problem as you did. Would you please help me how to 
fix the said problem.
your suggestions are deeply appreciated.

HFX_MEM_INFO| Est. max. program size before HFX [MB's]:                   

 *** 13:32:08 WARNING in hfx_energy_potential:integrate_four_center :: The 
 *** Kohn Sham matrix is not 100% occupied. This may result in uncorrect   
 *** Hartree-Fock results. Try to decrease EPS_PGF_ORB and                 
 *** EPS_FILTER_MATRIX in the QS section.                                 
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