Missing "At_d" and "W_pv" in PBE_54
Posted: Wed Nov 21, 2018 1:51 pm
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?
Link:
http://cms.mpi.univie.ac.at/vasp/vasp/R ... p_5_2.html
Thanks in advance!
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?
Link:
http://cms.mpi.univie.ac.at/vasp/vasp/R ... p_5_2.html
Thanks in advance!