Calculating RAM issues

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Aa410733031
Posts: 19
Joined: Wed Aug 24, 2022 11:52 pm
Affiliation: NYCU

Calculating RAM issues

Post by Aa410733031 »

Hello,

I'm working on calculating a TMD (Transition Metal Dichalcogenide) channel consisting of about 400-500 atoms using Quantum Espresso. During the SCF calculation, I found that it requires approximately 2TB of RAM. Is this normal? Also, can EPW software handle calculations involving 400-500 atoms?

Thanks

stiwari
Posts: 47
Joined: Mon Jun 26, 2023 9:48 pm
Affiliation: UT Austin

Re: Calculating RAM issues

Post by stiwari »

Hi

EPW is not tested for such large system sizes.
For QE related questions please use QE users forum (https://www.quantum-espresso.org/users-forum/).

Best regards,
Sabya.

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