Please see this question on matter modelling: https://urldefense.com/v3/__https://mattermodeling.stackexchange.com/questions/9424/tbt-transiesta-calculation-error__;!!D9dNQwwGXtA!Q0B4ku0Ggr5WGLRlqQanAhMDQgCsmcwv4nk4V4yVTmXyu0RdrGo-Nwh_WVdR97nasmLA7ityvqMRA22Sjg$
Den tirs. 21. mar. 2023 kl. 22.03 skrev Bo Xiao <xiaoboy...@hotmail.com>: > Dear siesta users > > I meet the problem in carrying out the transiesta simulation. > The electrode calculation is all right, while it always show the error > message in calculating the current/voltage curves, 'Electrode connectivity > is not perfect'. > When i substitue the metal atoms in electrode by other metals, the > calculation is all right. > The attachement is the input and output files. > I am looking forward to your message. > > Best Wishes > xiaoboy > > -- > 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!Q0B4ku0Ggr5WGLRlqQanAhMDQgCsmcwv4nk4V4yVTmXyu0RdrGo-Nwh_WVdR97nasmLA7ityvqPHnOD2nA$ > ) > -- 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/)
