It is hard to know what went wrong. But! You seem to be mixing old flags (pre 4.1) and new flags (4.1 and newer). As far as I remember LDA+U was first introduced in 4.1. And your TS options are for 4.0 or older.
Please double check your output whether all your options are correct, this is vital. Den lør. 19. aug. 2023 kl. 22.01 skrev Fazle Subhan <subhanp...@gmail.com>: > Dear Siesta Users, > Hope you all will be fine, I have a problem in TBT.Trans calculations. > Although I use this software in many articles now it is a ferromagnetic > system with GGA+U I want to calculate the transmission spectrum at zero > bias. Although, the calculations run smoothly and I hope correctly but when > I plot the transmission spectrum it was weird. Therefore, I am sending you > the RUN,fdf, and transmission spectrum files and the plotted file also in > the attachment. Please let me know where I make the mistake. > Thanks in advance and waiting for your kind reply. > *Fazle Subhan PhD, * > *Postdoctoral Fellow* > *State Key Laboratory of Advanced Design and Manufacturing for Vehicle > Body, College of Mechanical and Vehicle Engineering* > *Hunan University, Changsha 410082, People's Republic of China* > > -- > 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!QF1MQw780j5sMK062gEtBOwtEyv991QSdESFw7LAmZhOoBSmIewrId6A265ziYeGSFJGqI6JVsyAXgBPjA$ > ) > -- 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/)
