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spin orbit coupling
Posted: Sun Sep 16, 2012 8:39 am
by mina
Hello
i have worked by abinit and now i am going to calculate spin-orbit coupling by abinit.can i do this calculation by abinit?
Best regards.
Re: spin orbit coupling
Posted: Tue Sep 18, 2012 6:09 pm
by jzwanzig
Yes, see the tutorial called "spin" and for PAW, see the input variable pawspnorb.
Re: spin orbit coupling
Posted: Mon Dec 10, 2012 12:41 pm
by mina
Dear Jzwanzig,
Thank you for your guide,i studied that tutorial and variable for spin-orbit coupling but if i use this variable i have to use paw but there are not any paw psudopotential for my atoms in abinit (Bi,Te).in this tutorial there is input variable so_psp for spin orbit coupling too,can i use this variable with hgh psudopotentials?would you please guide me about this two variables?
Best regards.
Mina.