[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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