WDA in abinit

Total energy, geometry optimization, DFT+U, spin....

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Mutta
Posts: 69
Joined: Fri Feb 19, 2010 11:33 am

WDA in abinit

Post by Mutta » Sun Oct 31, 2010 2:47 pm

Dear Prof. Gonze
I used GGA and LDA to find optimized structure of BaTiO3, PbTiO3
but the value so far with exp. data
Now I interested to switch to WDA weighted density approximation
were performed for ground state properties of ferroelectric perovskites PbTiO3 , BaTiO3
My question is how can I set or find WDA in abinit
please help me

Best.
Abdulmutta

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