Dear fellow QE users,<br><br>I am currently using fully relativistic pseudo-potentials to compute certain spin-orbit based properties in solids. <br>Given a silicon system, there are 4 valence and 4 conduction bands (each doubly degenerate in the spin components) in total.<br>
<br>When i perform PWscf calculations, I set 'lspinorb' and 'noncolin' (in the system namelist) to .true. <br><br>I desire that the 2 degenerate spin states of every band be defined as uniquely up and down (and not merely their linear combinations). <br>
<br>1. To achieve this I am currently using 'starting_spin_angle'=true, but is the correct command to use? If not, what should be done? <br>2. Can this done, in spite of using the 'noncolin' command?<br><br>
Thanks<br>Hariom Jani<br>