I found a potential file for Yb with the PW91 and PBE functional, but not for LDA...does it exist?
(I'm doing a string of comparison calculations)
PAW-LDA Yb potential file
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Danny
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PAW-LDA Yb potential file
Last edited by Danny on Tue Apr 27, 2010 1:27 pm, edited 1 time in total.
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Danny
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PAW-LDA Yb potential file
No Gd-LDA-functional either?
Last edited by Danny on Tue Apr 27, 2010 2:25 pm, edited 1 time in total.