Re: [SIESTA-L] Fully Relativistic Psuedopotential for SIESTA

Thank you very much. On Mon, Feb 7, 2022 at 3:03 AM Daniel Bennett wrote: > The PSML pseudopotentials from Pseudo Dojo > have fully relativistic versions. But you will need to build a PSML version > of siesta (tutorial here >

Re: [SIESTA-L] Fully Relativistic Psuedopotential for SIESTA

Thank you, Danny, I might add that a few days ago we merged the PSML functionality into the main ('master') branch of Siesta in Gitlab. (For a guide to the various Siesta versions, see: https://gitlab.com/siesta-project/siesta/-/wikis/Guide-to-Siesta-versions). Compilation is now relatively str