[Wien] band gap with EV-GGA and PBE-GGA

[Mary White]

Dear all users,
        I calculated the energy band with EV-GGA and PBE-GGA. The system is semiconductor.And the gap I calculated with the experimental structure is about 0.1ev with EV-GGA.But when I calculate with the optimized structure,the gap is disappear.From the band structure,it appears metallic.The band from EV-GGA and PBE-GGA seems very similar.The parameters in the calculation with experimental structure is the same as that with optimized structure.I think the optimized structure is OK. I am puzzled with that.
        Does anyone know it? Look forward to your advice. Any help will be appreciated.Thank you in advance.
   
                                                                                                             Mary White

       
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