Hi Camps, I answered this here: https://urldefense.com/v3/__https://mattermodeling.stackexchange.com/questions/12525/better-siesta-workflows-system__;!!D9dNQwwGXtA!RWrxZFGKJWOZ8ctQOqm5xNu4uLBq4jJbEsHb4oO6F3frBvWox134brbqZH3Oztkn93T9SXQa-Ke3uiBrgw$
Thanks! Den ons. 6. mar. 2024 kl. 22.00 skrev I. Camps <ica...@gmail.com>: > Hello, > > Normally, I run all my SIESTA calculations manually and then go to > post-processing the results, also manually. > > I would like to know which of the tools below is "better" (more complete?) > in order to make a more efficient use of time when using SIESTA. > > - Atomic Simulation Environment ( > > https://urldefense.com/v3/__https://wiki.fysik.dtu.dk/ase/index.html__;!!D9dNQwwGXtA!RWrxZFGKJWOZ8ctQOqm5xNu4uLBq4jJbEsHb4oO6F3frBvWox134brbqZH3Oztkn93T9SXQa-Ke0vufSOQ$ > > > <https://urldefense.com/v3/__https://wiki.fysik.dtu.dk/ase/index.html__;!!D9dNQwwGXtA!VOGt5kWpn38naMamN5vxacrTLjXzrNYdt0gtGFQ0EGeJmjEtgFT3DtAW0bO9FZkpuDXl_S0UzN5v$> > ) > - AiiDA > (https://urldefense.com/v3/__https://www.aiida.net/index.html__;!!D9dNQwwGXtA!RWrxZFGKJWOZ8ctQOqm5xNu4uLBq4jJbEsHb4oO6F3frBvWox134brbqZH3Oztkn93T9SXQa-KdPAFe12g$ > > > <https://urldefense.com/v3/__https://www.aiida.net/index.html__;!!D9dNQwwGXtA!VOGt5kWpn38naMamN5vxacrTLjXzrNYdt0gtGFQ0EGeJmjEtgFT3DtAW0bO9FZkpuDXl_YxLsIYn$> > ) > - SISL > (https://urldefense.com/v3/__https://zerothi.github.io/sisl/__;!!D9dNQwwGXtA!RWrxZFGKJWOZ8ctQOqm5xNu4uLBq4jJbEsHb4oO6F3frBvWox134brbqZH3Oztkn93T9SXQa-KdwM-ODQg$ > > > <https://urldefense.com/v3/__https://zerothi.github.io/sisl/__;!!D9dNQwwGXtA!VOGt5kWpn38naMamN5vxacrTLjXzrNYdt0gtGFQ0EGeJmjEtgFT3DtAW0bO9FZkpuDXl_VWm39bn$> > ) > > > []'s, > Camps > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!RWrxZFGKJWOZ8ctQOqm5xNu4uLBq4jJbEsHb4oO6F3frBvWox134brbqZH3Oztkn93T9SXQa-KfaKOAk3w$ > ) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
