[QE-users] [QE-user] LCAO in Quantum ESPRESSO

[Yuvam Bhateja]

Okay.
Thanks a lot for the information.

Regards
Yuvam Bhateja

On Sun, 7 Jun 2020, 9:15 pm Paolo Giannozzi, <p.giannozzi at gmail.com> wrote:

> On Sun, Jun 7, 2020 at 2:16 PM Yuvam Bhateja <yuvamb16 at gmail.com> wrote:
>
>>
>> I want to ask, can we use lcao in QE?
>>
>
> no. If you want to use LCAO, try the SIESTA code:
> https://departments.icmab.es/leem/siesta/
>
> Paolo
>
> I want to simulate my system which is quite big and read somewhere that
>> for bigger systems, LCAO method is used in DFT.
>> Can someone provide some insight over this?
>>
>> Regards
>> Yuvam Bhateja
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>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
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