[Pw_forum] a question on pseudopotential generation

[Yue-Wen Fang]

Dear Dr. Lorenzo Paulatto
Thank you! In the tutorial* INPUT_LD1.html*, it says that
rcoreREAL

Matching radius (a.u.) for the smoothing of the core charge.
If not specified, the matching radius is determined
by the condition:  rho_core(rcore) = 2*rho_valence(rcore)

In other words, if i donnot give a value to rcore, the default value is
related to rho_valance, but i have not found the meaning of rho_valence,
can you explain it for me?
Thanks!


2013/3/12 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>

> On 12 March 2013 13:14, Yue-Wen Fang <yuewen.fang at gmail.com> wrote:
> > I really don not know how to understand "push slightly outwards"?
>
> make it larger
>
> > In addition, why to try rcore=2.0 but not other values?
>
> 2.0 is an example, try other values too
>
> bests
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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-- 
------------------------------------------------------------------------------------------------------------
Yue-Wen FANG, PhD candidate
Key Laboratory of Polar Materials and Devices, Ministry of
Education<http://clpm.ecnu.edu.cn/>
East China Normal University <http://www.ecnu.edu.cn/english/>
Phone: +86-18321726131
I will persist until I succeed!
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