[Wien] WC-GGA is agree more than PBE to experimen??

[Marzieh Gh]

Dear Prof.Blaha

       I am running wien version 13 on a machine of type 8 cores with
operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler
ifort and math libraries cc.
      The purpose of my calculations is to get quantity structure and optic.

       I am running of KTiOPO4  using PBE(13) & WC –GGA (11) approximation,

 But WC-GGA is Agree more than PBE to experimental results.

 What is reason? Why WC-GGA Compatible with this compound?



Please help me

Best Regards,

-- 
Marzieh Ghoohestani
PhD Student of Computational Nano Physics
Nano Research Center, Department of Physics
University of Technology, Isfahan, Iran
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