Dear All, As a new user of the Siesta code, I am trying to reproduce the results published in P. Rivero's 2015 article concerning pseudopotentials for various materials in order to reproduce the band structure of bismuth. I have generated a relativistic pseudopotential and used a basis set as recommended by the same authors with the parameters from their publication. Unfortunately, I am unable to reproduce the electron and hole pockets at the L and T points of the Brillouin zone. Could someone provide me with some tips to advance in my investigations?
Thank you in advance. Regards, Roland. PS: I can send my entry file as well as my entry file used by the Atom program for the pseudo generation
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
