WDA in abinit
Posted: 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
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