[Pw_forum] Where to find old format pseudopotential files?

José Rui Faustino de Sousa jrfsousa at teor.fis.uc.pt
Tue Jul 25 18:59:17 CEST 2006


On Mon, 2006-07-24 at 16:32 +0200, Paolo Giannozzi wrote:
> On Thursday 13 July 2006 12:38, José Rui Faustino de Sousa wrote:

> it looks reasonably correct.
> 

Thank you very much for taking the time to look at that.

>  For the core correction:
>   rho_core(r) = (a_nlcc + b_nlcc*r^2) exp ( -alpha_nlcc*r^2)
> 

Do you know any citation to that formula? And, by the way, for the
scheme to construct the radial logarithmic grid?

Thank you very much.

Best regards
José Rui

P.S.- Your notes on pseudopotential generation have been very handy!






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