Hi Wei, Have you read the manual?
If not, I would highly recommend you to read that, and if there are still some clarifications needed, then please let us know: 1. What was not clear enough in the manual 2. A possible suggestion to improve it Thanks! Den lør. 12. aug. 2023 kl. 22.00 skrev 肖威 <xiaowei951...@163.com>: > Dear SIESTA developers and users, > > I have the following two questions about TRANSIESTA and I'm really looking > forward to getting some help. > > 1. In the two-electrode calculation (N = 2 electrode calculations), when I > set (TS.Voltage = 0.4 eV), does the potential of the left electrode drop by > -0.2 eV and that of the right electrode rise by 0.2 eV ? > > 2. In the following example, what do (-a3), (1), (+a3) and (-1) stand for > respectively ? > > (Some modifications were made according to article "N. Papior et al. > Manipulating the voltage drop in graphene nanojunctions using a gate > potential. Physical Chemistry Chemical Physics, 2016, 18(2):1025-1031. > [DOI: 10.1039/c5cp04613k]") > %block TS.Elecs > Left > Right > %endblock > %block TS.Elec.Left > HS ../../lead.TSHS > semi-inf-direction -a3 > chemical-potential Left > electrode-position 1 > used-atoms 90 > %endblock > %block TS.Elec.Right > HS ../../lead.TSHS > semi-inf-direction +a3 > chemical-potential Right > electrode-position end -1 > used-atoms 90 > %endblock > > Thank you very much! > Wei > > > 肖威 > xiaowei951...@163.com > > <https://urldefense.com/v3/__https://dashi.163.com/projects/signature-manager/detail/index.html?ftlId=1&name=**E&uid=xiaowei951020*40163.com&iconUrl=https*3A*2F*2Fmail-online.nosdn.127.net*2Fqiyelogo*2FdefaultAvatar.png&items=*5B*22xiaowei951020*40163.com*22*5D__;6IKW5aiBJSUlJSUlJSUlJSU!!D9dNQwwGXtA!T8lXkEKRbPNtHcW8RQCWxXniZwwkFjuIrcRObLtywnJm4czoJMQq42WkKKbOYqm4zUAV54OgfQ3nEgbJ-lYSNQ$> > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence > (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!WukSOFdB8A5RMsaz_TtzTa4G0SNJIe_7hHBefefaG67mDVhFqVz46xSJJr8PE26-miUgOQ4cKFMkt9doog$ > ) > -- 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/)
