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David Bowler d885898929 PBE and PBEsol input files for Gp I and II elements 
Follows the same principles as for LDA (all elements from Na on
in the first two columns)
 		2022-12-15 14:01:51 +09:00
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LDA PBE and PBEsol input files for Gp I and II elements 2022-12-15 14:01:51 +09:00
PBE PBE and PBEsol input files for Gp I and II elements 2022-12-15 14:01:51 +09:00
PBEsol PBE and PBEsol input files for Gp I and II elements 2022-12-15 14:01:51 +09:00
README.md Create library of LDA ion file inputs 2020-01-23 16:34:55 +00:00

README.md

This directory contains sample pseudopotentials and pseudo-atomic orbital (PAO) basis sets for elements in the PseudoDojo database (roughly speaking up to 86Rn).

It also includes the input files you will need for generating basis sets of your own using the CONQUEST basis generation code. More details are found in the documentation directory.

The potentials are available for LDA, PBE and PBEsol exchange-correlation functionals.