Dear Rayan,in a spin-polarized case, the script writes several columns of PDOS (2, or 4 for non-collinear case)into the output file:C --- write down accumulated DOS values: ----------------- if (isferm) write (io1,310) efermi write (io1,304) do it=1,nt write (io1,305) ene(it),(dos(it,ispin),ispin=1,nspin) enddo close (io1)...Best regardsAndrei ----- rayan moukhadder <rayanroro321...@gmail.com> a écrit : >Dear siesta users,A successful spin polarized siesta run was done and a .PDOS >file has been created. Now I would like to plot PDOS up and down for specific >atoms using one of Andrei Postnikov tools which is fmpdos script. Using this script I can easily identify n,l,m quantum numbers of the atom but how can I specify the z number concerning the spin(up or down), for example if I need to plot only the spin up component of the Pz orbital how can I do such action. Thank you.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
