[Pw_forum] PP

Paolo Giannozzi p.giannozzi at gmail.com
Sat Nov 26 12:41:25 CET 2016


Option "tm" describes the type of pseudization applied to atomic orbitals,
not necessarily the type of pseudopotential

Paolo

On Sat, Nov 26, 2016 at 11:08 AM, ashkan shekaari <shekaari at gmail.com>
wrote:

> Dear experts,
>
> Within the file Mo.pbe-spn-rrkjus_psl.0.2.UPF it is seen that tm=.true.
> which means the PP has been generated using the TM method, but as its name
> explains, the file has been generated using RRKJ method. Which one is
> correct?
> *--*
>
> *Regards,*
> *Ashkan Shekaari*
> *Plasma Physics Research Center*
> *Science and Research Branch*
> *I A U, 14778-93855 Tehran, Iran.*
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161126/f228b2b0/attachment.html>


More information about the users mailing list