[Pw_forum] Zn pseudopotential made by ld1.x

[Yukihiro Okuno]

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