[Pw_forum] Does anyone have RRKJ uspp for Cr?

Chao Cao cao at qtp.ufl.edu
Tue Mar 27 01:03:11 CEST 2007


As title. I have tried to generate the pseudopotential myself, but it 
seems to be way too complicated. It kept complaining about stuff like:


             integrated core pseudo-charge :   5.66
     from compute phi : info #        -1
     negative determinant

         1 ld=   0.518427 f2ae  0.606247 faenor  0.141808

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from gener_pseudo : error #         1
     too many nodes
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


Thanks a lot.

Chao Cao



More information about the Pw_forum mailing list