The spin index is the last value in each row. So everything is compressed as a flat file format.
Alternatively you can do: gnubands -s 1 < .bands > band_up.dat gnubands -s 2 < .bands > band_dn.dat to split them in two files. Den fre. 27. nov. 2020 kl. 22.00 skrev veerpal kaur dhiman < v.veerpa...@gmail.com>: > Dear siesta users > > I have been trying to calculate the spin polarized band structure for my > system. > First of all i optimized my system with > "variable cell' true > num of cg steps 500 and > spinpolarized option false > > then using the relaxed coordinates and relaxed lattice parameters and > with options > > variable cell false > num of cg steps 0 > spinpolarized option true > %block DM.InitSpin > 3 +2.0 > %endblock DM.InitSpin > > .bands file is calculated > where "3" is used for denoting the atom iron Fe in my system in fdf file. > > then i converted .bands file into .dat file using > gnubands < .bands| band.dat > > but i have got a single file for bands i am unable to separate the > spin up and spin down bands how to get these? is there any mistake. > > please help if anyone can > > Thank you > Veerpal Kaur. > > -- > 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/)
