[Wien] Re. using GAP2 to perform GoWo on Half-metallic Heusler alloys

[Peter Blaha]

Hi,

Sorry, but the WIEN2k mailing list cannot help you with questions about 
GAP2. You have to contact Hong Jiang directly.

Best regards

Am 04.10.2019 um 20:29 schrieb Eesha Andharia:
> Hi Developers,
>     I need an expert advice regarding the use of GAP2 for performing 
> GoWo calculations on Half metallic Heusler alloys.
>   When I go to GAP2 website, I see the following *limitations**:* only 
> 20 atoms for accuracy, *no use for 2D-systems or surfaces and cannot be 
> used for metallic system.*
> 
> However, has there been any updates or progress in those aspects?
> Because,*I plan to use the code *for performing GW calculations *on 
> half-metallic systems* and also extend the bulk calculations to a 2D 
> thin-film.
> 
> 
> Awaiting expert advice.
> 
> Thanking you in advance.
> 
> Yours sincerely,
> Eesha
> 
> 
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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