The ABINIT Users Mailing List ( CLOSED )

[ren <opticalcase@gmail.com>]

Dear Dr Verstraete and Dr Fabien,

Thank you for your advices! I just started trying out GW and still far
away to reach that stage and I hope my pc is able to last to that
stage. I will try to perserve to the end!

Cheers,
Yee Yan

On Mon, Jun 1, 2009 at 3:49 PM, matthieu verstraete
<matthieu.jean.verstraete@gmail.com> wrote:
> In principle yes, no problem. In practice, however, it will be very
> heavy. You will need a very large supercell to converge and the GW
> will be even heavier.
>
> Matthieu
>
> On Sat, May 30, 2009 at 10:51 AM, ren <opticalcase@gmail.com> wrote:
>> Dear All:
>>
>> I would like seek your advise if in the current development of GW
>> method in Abinit, is it possible to calculate the defect level in the
>> bandgap of wide band gap semiconductor when point defect is present?
>>
>> Cheers,
>> Yee Yan
>> Nanyang Technological University
>> Singapore
>>
>
>
>
> --
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Dr. Matthieu Verstraete
>
> European Theoretical Spectroscopy Facility (ETSF)
> Dpto. Fisica de Materiales,
> U. del Pais Vasco,
> Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
> E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390
>
> Mail : matthieu.jean.verstraete@gmail.com
> http://www-users.york.ac.uk/~mjv500
>
>