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.
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