Dear PWSCF Users. I want to compare the effects of different USPP pseudo potential for ZnO. The pseudopotential made by Vanderbilts's USPP program has orbital chage density weight around r=0 with l=1,l=2 pseudo wave function due to the augumentation chage's pseudize process. ( I confirmed it to Prof. Vanderbilt.) And , I want to use the Zn uspp (or NC) pseudo potential with correct orbital charge behavior because I want to test pseudo-SIC calculation. (now, I'm implementing.) So, If there are somebody who made Zn pseudo-potential by ld1.x, I want the input file for ld1.x for Zn, because I'm not accustomed to making pseudo potential.
Sincerely. Yukihiro Okuno. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090220/ea5e9942/attachment.htm
