[Pw_forum] Potassium PBE pseudopotential

Dmitry Korotin dkorotin at gmail.com
Mon Sep 3 14:27:27 CEST 2007


Dear all,
thank you for your suggestions and tutorials

2007/9/3, Nicola Marzari <marzari at mit.edu>:
> The tutorial does mention the work "black art", though.
>
that's because I prefer to ask in mailing-list for pseudopotential
against to generate my own :)
(all my previous attempts to generate one, for example Cu or Pu were
unsuccessful).

But, I think I'll try to do it this time.

Dear Eyvaz,
the subject of our studies are lattice distortions in KCuF3.

Best regards,
Dmitry Korotin,
PhD student,
Institute of Metal Physics,
Ural branch of RAS,
Russia


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