The ABINIT Users Mailing List ( CLOSED )

[Fabien Bruneval <fabien.bruneval@polytechnique.fr>]

There is a wonderful section of the abinit website, where all input 
variables are explained extensively:

http://www.abinit.org/Infos_v5.2/input_variables/keyhr.html

Please refer to this.

fabien



pengyoucool@yahoo.com.cn wrote:
> Dear users,
>     Thank you for your attention.
>     I have calculated the band of my compound with full potential in LAPW 
> method.It is a semiconductor,not metallic. I think there should not be
> any difference between full potential method and the pseudo potential method 
> about the special k points in the gap.So I work with GW correction in the gap 
> directly. If I'm wrong ,any comments will be appreciated.
>     What'more,I don't know how the two parameters "occopt" and "tsmear" work 
> for their purposes.I didn't find out any informations about them in the input file tgw_1.in.
>     Appreciate your help in advance.
>
>                                                                               
>                                                                               
>                                  yours,
>                                                                   Peng