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QMCPACK / scfrecipes

Challenging inputs and recipes for self-consistent field codes
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RMM-DIIS in Quantum Espresso #3

Open jtkrogel opened 2 years ago

jtkrogel commented 2 years ago

This method (which is used to great effect in VASP) has been merged into QE and is now available in QE 7.0:

https://gitlab.com/QEF/q-e/-/merge_requests/1498

@ye-luo do you know where the documentation is to use it?

jtkrogel commented 2 years ago

Nevermind, it is packaged with source in v7.0:

https://github.com/QEF/q-e/releases

Googling didn't quickly bring up v7 input online.