Ab Initio Calculations with PWSCF

[npiroozan]

Hello,

My apologies but how can we use dpgen with pwscf? There seem to be detailed descriptions for use with VASP and Abacus, but I don't seen anything for Quantum Espresso. Any advice in this regard would be very helpful.

Thank you!

[njzjz]

Yes but the documentation is missing. You may need to check the source code to see how it works.

https://docs.deepmodeling.com/projects/dpgen/en/latest/run/param.html#run-jdata-fp-style-pwscf

[npiroozan]

Great! Thank you!