[Pw_forum] about GGA implementation

Ezad Shojaee ezadshojaee at hotmail.com
Tue May 30 15:27:43 CEST 2006


Hi
i want to implement GGA approximation in my performance for TiO2 & i have 
used GGA pseudopotentials .
i want to know what  can i do more?  ( in order to have a better band gap )
thanx

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