Missing "At_d" and "W_pv" in PBE_54

Vasp transition state theory tools

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Missing "At_d" and "W_pv" in PBE_54

Post by Hanmei_Tang »

Hi all,

In the recently released documentation page, it is recommended to use "At_d" and "W_pv" PAW potentials for At and W, respectively. However, the two data sets can be found in "potpaw_PBE.52", but absent from "potpaw_PBE.54". What would you suggest to use if the two elements are in my simulated system? Or does this mean these recommendations apply to PBE_52 only?

http://cms.mpi.univie.ac.at/vasp/vasp/R ... p_5_2.html

Thanks in advance!
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Re: Missing "At_d" and "W_pv" in PBE_54

Post by graeme »

This is a question for the vasp folks.
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