[Wien] a question about LDA+U

Sergio Yuanuen Rodriguez srodriguez at physics.tamu.edu
Tue Oct 23 20:31:43 CEST 2007


Yes you can do it, just modify the case.inorb file according to your needs.

Sergio Y. Rodriguez
Physics Department
Texas A&M University

> Dear WIEN2K usere,
> Suppose i am working with a system and like to use
> LDA+U
> for example with U=0 and J=0.3 Ryd.
> Can i do it ?
> Please guide me.
> Your's
> Morteza Jamal.
>
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