The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Peng,

Before embarking in GW calculations, you should do the very basic  
tutorials 1 to 4 , see
http://www.abinit.org/Infos_v5.3/tutorial/welcome.html

If you do not know occopt and tsmear, this means that you have not  
done so ...
Xavier



On 16 Mar 2007, at 08:48, 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