[Pw_forum] (no subject)

Padmaja Patnaik padmaja_patnaik at yahoo.co.uk
Thu Sep 8 07:28:10 CEST 2011


Hi All

I am doing spin-orbit coupling calculations. To get spin-polarized calculations with spin-orbit coupling mentioned in the input for scf,   lspinorb=.true.,
    noncolin=.true.,
    starting_magnetization(1)=0.5,
    starting_magnetization(2)=0.5,
After this scf calculations I am doing the nscf calculation and finally the density of states and partial density of states. What I expect is it should give me both up and down spin DOS separately but I didnt get that. usually for calculations without spin-orbit coupling I mention nspin=2 in the input and get spin polarized results with both up and down spin density of states given separately which can be plotted. Please suggest what to do?


 Thanking in advance,
regards


Padmaja Patnaik
Research Scholar
Dept of Physics
IIT Bombay
Mumbai, India
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