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

[Paolo Giannozzi]

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
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