LDA+U for GaAs
Posted: Mon May 11, 2009 12:27 pm
Dear All,
I would like to perform some calculations at LDA+U level on GaAs and Ge systems. Has anyone previous experience on such systems? I am deeply in trouble since I am not able to find out proper values for U and J in previous literature.
Can anybody suggest me where to find valuable ones?
Even few hints would be really appreciated
Thanks in advance,
G
I would like to perform some calculations at LDA+U level on GaAs and Ge systems. Has anyone previous experience on such systems? I am deeply in trouble since I am not able to find out proper values for U and J in previous literature.
Can anybody suggest me where to find valuable ones?
Even few hints would be really appreciated
Thanks in advance,
G