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
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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
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SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
