[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
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