The confusing of the results of DOS calculated by cp2k (the Fermi level is not in the band gap)

zhj... at zhj... at
Fri Aug 4 12:52:38 UTC 2017

Dear CP2K Users/Experts,

I was used CP2K with HSE06 and gamma point to calculate the DOS of 
BaTiO3(contain 625 atoms, 19.96*19.96*20.18 A^3 ), but the results is 
confused. BaTiO3 is the insulator, but the Fermi level is not in the band 
gap. The system is optimized using GEO_OPT. So, can anyone tell me what's 
going on?  



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