[Pw_forum] The definition of rho0 in pp's generation？

[Paolo Giannozzi]

On Fri, 2013-03-15 at 20:14 +0800, Yue-Wen Fang wrote:

> What's the definition of rho0 in pp's generation using ld1.x?
> Input File Description of ld1.x tells us that rho0 is the charge at
> the origin when using the Rabe-Rappe-Kaxiras-Joannopoulos method.
> But i still cannot figure it out clearly, how to understand origin?

r=0. The position of the nucleus in the atom.

P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222