The ABINIT Users Mailing List ( CLOSED )

[huanggy04@mails.tsinghua.edu.cn]

Thanks.
I have noticed these papers except "a paper of the group of Steven Louie on 
ZnS and ZnSe, PRB 66 195215 (2002)",which used plane wave method.Because I 
focus on the ZnO and I found no papers was a straightforward application of 
plane wave GWA to ZnO including cationic semicore d states(3s,3p,3d,4s),I may 
make a mistake.I wonder why it seams there is not any plane wave GWA to ZnO 
including d states,furthermore it seams there is not any calculations to 
wurtzite ZnO including d states.

I notice that your method is a model GWA,and the result is excellent. Is it 
included by Abinit? Sorry,I am still not very familiar with Abinit at present.