The ABINIT Users Mailing List ( CLOSED )

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

Dear Seungmi,

I don't exactly if HGH pseudos are working in the GW code.
But something I had repeated many times in this forum: when performing a 
GW calculation, one should always choose a pseudopotential, which 
considers the semicore states as valence. Here for indium, I think the 
4s4p4d should be treated as valence, else the exact-exchange operator 
could be off by several eV.
Eventually, I advise you to create your own pseudo...

Cheers,

Fabien



seungmi.lee@kriss.re.kr wrote:
> Dear abinit users,
>
> Is it possible to use GWA using HGH pseudopotential?
>
> If it does, which version should I use? ver4.6.5 did not work.
> I couldn't use TM ps due to my material contains Indium, the famous 'black
> sheep' in TM ps table.  
>
> Thank you in advance and happy new year~
>
> With best wishes,
> Seungmi
>