[gpaw-users] gpaw-setup

[Duy Le]

Thank you for the note.
I really need Xe and Rn potentials. I am willing to test them if I am able
to generate them or have them.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"


On Sat, Nov 20, 2010 at 5:53 AM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>wrote:

> Hi,
>
>
> Duy Le wrote:
>
>> Dear all,
>>
>> https://wiki.fysik.dtu.dk/gpaw/setups/setups.html
>> Is there any specific reason for not providing premade setup for some
>> elements? For example Xe, Rn, Hg, Sb, Te...
>>
> Te is available in
> http://wiki.fysik.dtu.dk/gpaw-files/gpaw-setups-0.6.6300.tar.gz
> Others have not been tested enough to be distributed (Rn not even tried).
> Anyway one should always before starting a new project test relevant
> properties even for the EXISTING GPAW setups against some, in principle,
> accurate codes like wien2k, fleur, elk, etc-
> and i don't mean standard bulk properties tests here.
> In this way we could become aware of problems and improve the setups if
> necessary and possible.
>
> Best regards,
>
> Marcin
>
>>
>> --------------------------------------------------
>> Duy Le
>> PhD Student
>> Department of Physics
>> University of Central Florida.
>>
>> "Men don't need hand to do things"
>> ------------------------------------------------------------------------
>>
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>> gpaw-users mailing list
>> gpaw-users at listserv.fysik.dtu.dk
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>>
>
> --
> ***********************************
>
> Marcin Dulak
> Technical University of Denmark
> Department of Physics
> Building 307, Room 229
> DK-2800 Kongens Lyngby
> Denmark
> Tel.: (+45) 4525 3157
> Fax.: (+45) 4593 2399
> email: Marcin.Dulak at fysik.dtu.dk
>
> ***********************************
>
>
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