[Pw_forum] Fully relativistic PPs for rare-earth elements

[Mr. Sushant Kumar Behera]

Dear QE users and experts,

I want to know about the generation of nonlinear core-correction with
fully relativistic Pseudopotentials (PPs) for rare-earth elements (i.e.
Lanthanide series) which will help me to include spin-orbit interaction in
my calculation. I have followed one thesis regarding the Relativistic
Energy-consistent PPs for f-Elements. I have not found the PPs in QE
webpage to find the spin-orbit coupling effect in such elements. Still, I
am wondering whether it will be possible to generate the PPs using atomic
code.

I am looking forward for necessary suggestions which will be highly
appreciated.

Thanking in advance.

Regards

Sushant Kumar Behera
INSPIRE Fellow
Advanced Functional Material Laboratory
Deaprtment of Physics
Tezpur University
Tezpur, India 784028
email: sushant at tezu.ernet.in
Phone: +91-3712-275578 (Lab)
Cell:  +91-8473848729  (Mob)
http://www.tezu.ernet.in/dphy/afml/index.php


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