TranSiesta does not use the same file formats. 1) Eigenvalues cannot be calculated using the NEGF formalism, so you won't get the eig file, ever. 2) If you use siesta-4.1 or later you will only get a projected DOS output from TBtrans in the *.TBT.nc files. Subsequently you should use sisl, https://github.com/zerothi/sisl, to extract the DOS for given orbitals and/or atoms. Remark that if you haven't compiled with NetCDF 4 support (see manual) then you will only get the full DOS for the device region, i.e. no individual orbital PDOS.
Den ons. 24. jun. 2020 kl. 22.03 skrev rayan moukhadder < rayanroro321...@gmail.com>: > Hello everybody, I would like to ask why <SystemLabel>.PDOS and > <SystemLabel>.EIG files are not obtained by me after a successful > transiesta and tbtrans run knowing that i added the options > TS.TBT.AtomPDOS true > TBT.DOS.A.All true > Thanks in advance. > > > -- > 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/)
