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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