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
