[Wien] BSE

Yundi Quan quanyundi at gmail.com
Tue Mar 22 11:11:12 CET 2016


I have a unit cell with 16 atoms and I ran my jobs on a cluster which
charges around 0.02 dollar per CPU hour. I guess it would be too
expensive to do the BSE calculation.



On Tue, Mar 22, 2016 at 2:59 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> I updated    www.wien2k.at/reg_user
>
> For BSE the same conditions apply as for the NCM code.
>
> Please be aware, BSE requires even for the simplest systems a big cluster
> with 64-512 cores and you really need to know how to install and run big mpi
> parallel programs.
> The documentation is quite incomplete and pits and pieces exists coming from
> different users / times, so not all info may be up to date.
>
> Regards
>
> On 03/18/2016 08:32 AM, Yundi Quan wrote:
>>
>> How to download BSE code? I can't find it on the WIEN2k download page.
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>
> --
>
>                                       P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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> --------------------------------------------------------------------------
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