Computational demand

[Ashita Jose]

Hi,

I reproduced an example given and found that the number of atoms of the twisted system is nearly 1500. I would like to work in twistronics. Can you suggest me the computational specifications required to calculate the electrical and optical properties of such systems?

[Mit Naik]

Hi Ashita,

You could use Siesta for a quicker computation of the electronic properties than other planewave codes. Check out Phys. Rev. B 102, 075413 (2020)

Best,

Mit

On Fri, Aug 12, 2022 at 10:19 PM Ashita Jose <ashitajo...@gmail.com> wrote:

Hi,

I reproduced an example given and found that the number of atoms of the twisted system is nearly 1500. I would like to work in twistronics. Can you suggest me the computational specifications required to calculate the electrical and optical properties of such systems?

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