[gpaw-users] spin dependent transport

Ole Jess Stausholm-Møller jsm at phys.au.dk
Tue Jan 4 09:45:29 CET 2011


Hi Torsten,
There is a short test script (Hubbard_U.py) in gpaw/test/ which shows  
how to use the DFT+U i GPAW.
Start by looking at that and if you have any questions please just ask.
/Jess Stausholm-Møller

Quoting Torsten Hahn <der.hahn.torsten at googlemail.com>:

> Dear gpaw experts,
>
> i have only two general question, which was not clear to me after  
> reading the manual:
>
> 1) As stated in the paper ( doi: 10.1088/0953-8984/22/25/253202 )  
> DFT+U should be available. Is there somewhere a short example how to  
> use it?
>
> 2) Can the transport code handle spin-dependent transport?
>
> Best regards,
> Torsten.
>
>
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