On Mon, 2006-07-24 at 16:32 +0200, Paolo Giannozzi wrote: > On Thursday 13 July 2006 12:38, Jos? 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 Jos? Rui P.S.- Your notes on pseudopotential generation have been very handy!
