[Pw_forum] Help regarding the generation of Pseudopotentials for rare earths?

[sonu kumar]

Dear Paolo,Goranka, and all QE users,

 I want to generate  nonrelativistic and relativistic USPP/NCPP with/without
spin-orbit interaction for rare eaths.
 It seems, after reading the "espresso-4.1.2/atomic_doc" that pp for
rare-earths can be generated.
 By the way http://www.quantum-espresso.org/user_guide/node56.html,
question-11.3.0.2, tells about code "atomic". where can i find it? is it
"ld1.x" or different?

Thanks for your kind help !!

With Kind Regards
Sonu Kumar

Phd Student
Physics Department
Indian Institute of Technology
Delhi-110016, India
web:-http://www.iitd.ac.in/


> > Can anybody tell/give me PP generation files/links etc., to generate
> > "PP" for rare earth elements using  *ld1.x* ?
> > http://www.quantum-espresso.org/pseudo.php doesn't  contain  pp for rare
> > earths.
>
> there is a good reason for this:
> http://www.quantum-espresso.org/user_guide/node56.html
>
>
>

>However, last year there was a message about PAW for rare earths (without
>details):
>http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html<http://www.democritos.it/pipermail/pw_forum/2009-May/012897.html>

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