On Sun, 27 Sep 2020, 20:21 Premlata Narwaria, <[email protected]> wrote:
> How to create SiC nanoribbon structure??? Help me sir.... > > On Sun, 27 Sep 2020, 01:30 shi tan, <[email protected]> wrote: > >> Dear SIESTA experts, >> >> For Fe, I noticed that the available pseudopotential from the >> siesta website only includes 4s2 and 3d6 electrons. But in some published >> works with other codes, 3p6 electrons are also included. I suppose that it >> is more accurate with more electrons taken into account. Where can I find >> those pseudopotentials with more electrons or should I construct one by >> myself? This happens to a lot of metals, is it accurate to just use >> those pseudopotentials from the SIESTA website to describe metal behavior? >> I would really appreciate your help! Thank you! >> >> Sincerely, >> -- >> Tan SHI >> >> -- >> SIESTA is supported by the Spanish Research Agency (AEI) and by the >> European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) >> >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
