Hi, 1) what is your input file 2) what does the top 10 lines of the tbtrans output say? 3) do you have the netcdf file SystemLabel.TBT.nc present in your calculation folder?
Den fre. 4. mar. 2022 kl. 22.07 skrev Neculai PLUGARU < neculai.plug...@imt.ro>: > Dear SIESTA Community > > I use SIESTA 4.1.5 and the associated TS and TBT. TBtrans was compiled > following the instructions in the TBtrans manual, using NETCDF-4 and MKL > libs. > > I want to calculate the eigen channels for the transmission matrix for a > spin-polarized system. For that purpose we have set the following flags in > the TBT input: > > TBT.Verbosity 8 > TBT.T.Bulk true > TBT.T.All true > TBT.T.Eig true > TBT.T.Eig 5 > TBT.T.Out true > TBT.Symmetry.TimeReversal F > TBT.Current.Orb true > > But the TBT calculation does not provide the files > > SystemLabel.TEIG_<1>_<2> > SystemLabel.BDOS_<> > SystemLabel.BTRANS_<> > SystemLabel.CORR_<> > SystemLabel.TRANS_<1>_<1> > > Is the information in these files listed only in the netcdf format (*.nc > files) ? > > Thank you for your help, > Neculai > ******************************************************* > Dr. Neculai Plugaru > National Institute for R&D in Microtechnologies (IMT-Bucharest) > Simulation, Modelling and Computer-Aided Design - Laboratory L5 > 126A, Erou Iancu Nicolae Street, 077190, Ilfov > Bucharest, ROMANIA > > E-mail: neculai.plug...@imt.ro > Tel: +4021 269 0777 > https://www.imt.ro > ******************************************************* > > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- 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/)
