Calculating RAM issues

[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]

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.