<div dir="ltr"><div>I am trying to perform LSDA+U calculation for ferromagnetic system using input<br></div><div> &system</div>     ibrav = 0,<br>     nat = 4, <br>    ntyp = 3,<br>   ecutwfc = 60, <br>  occupations = 'smearing'<br>  smearing ='marzari-vanderbilt', <br>  degauss = 0.004,<br>  starting_magnetization(1)  = 0.5, <br>  starting_magnetization(2)  = 0.5,<br>  noncolin = .TRUE.,<br><div>  lspinorb = .TRUE.,</div><div>  starting_spin_angle = .true.</div>  Hubbard_U(1) = 1.2585,<br>  Hubbard_U(2) = 1.2585,<br>  Hubbard_J0(1) = 0,<br><div>  Hubbard_J0(2) = 0,</div><div>/<br> &electrons<br>    electron_maxstep = 1000<br>    diagonalization='cg'<br>    conv_thr = 1.0d-6<br>    mixing_beta = 0.3<br> /<br> ATOMIC_SPECIES<br> La1  138.9055   La.rel-pz-spfn-kjpaw_psl.1.0.0.UPF<br> La2  138.9055   La.rel-pz-spfn-kjpaw_psl.1.0.0.UPF<br> Cl   35.4527    Cl.rel-pz-n-kjpaw_psl.0.1.UPF</div><div><br></div><div>I am encountering error in band.out on using spin_component = 2, <br></div><div>Error in routine punch_bands (1):<br>     incorrect spin_component<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div><br></div><div>With Regards <br></div><div>Tavneet Kaur</div><div>Research Scholar</div><div>Sant Longowal Institute of Engineering <br></div><div>and Technology</div><div>Longowal Punjab<br></div></div>