Dear users, As i know, there are several methods to obtain the pseudo potentials, while i am wondering whcih one is recommanded or safe.
1. I konw the best method is by using the ATOM package, while its input file and the subsquent test procedure is sometimes difficult to deal with. 2. I can download the pseudo potential from PseudoDojo<https://urldefense.com/v3/__http://www.pseudo-dojo.org/__;!!D9dNQwwGXtA!QLKbXiqFrfXQs1wLG_i4QTrGWgPTC8rqyYYDrWSXBsqsJxwzcrQe2OYDgn1EyCayVNKDaAROBZOkt_eLFW4$ > with .psml format. Then, by using the psml2psf coverter, with the command line: psml2psf -o Hf.psf Hf.psml, the Hf.psf was obtained. When using Hf.psf, i still need to include the electron state in the PAO.basis part in the .fdf input file. Is it possible to fullfill the PAO.basis part automatically? is this method safe? In this website https://urldefense.com/v3/__https://www.simuneatomistics.com/siesta-pro/siesta-pseudos-and-basis-database/__;!!D9dNQwwGXtA!QLKbXiqFrfXQs1wLG_i4QTrGWgPTC8rqyYYDrWSXBsqsJxwzcrQe2OYDgn1EyCayVNKDaAROBZOkeqcmMaQ$ , it provied the pseudo potentials of limited elements together with the corrponding PAO.basis part. 3. Obtain the pseudo potential with .psf directly from here https://departments.icmab.es/leem/SIESTA_MATERIAL/Databases/Pseudopotentials/periodictable-gga-abinit.html, the PAO.basis part is included. Is there any method to obtain the pseudo potentials? Thanks!
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
