[QE-developers] Local-density-dependent Thomas Fermi screening mixing

Phani Motamarri phanim at umich.edu
Wed Apr 3 05:18:53 CEST 2019


Hello Quantum Espresso Developers,

We are developing an in-house real-space DFT code and looking to implement
better mixing schemes beyond Anderson and Broyden specifically for
in-homogeneous systems. To this end, I came across local-density-dependent
Thomas Fermi screening mixing implemented in Quantum expresso which is
performing really well for  in-homogeneous systems. I would like to know if
you  have any suitable journal article reference for understanding the
mixing method implemented in Quantum espresso.

Looking forward to hearing from you

Thanks
Phani
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