Dear Prof. Blaha, Yes.
I have tried "x spaghetti -up/dn -so". However both "x spaghetti -up -so" and "x spaghetti -dn -so" give the same case.spaghettiup(dn)_ps which include both spin-up and spin-down band. My question is: can I obtain the spin-up and spin-down band with soc separately? It looks like I can get the DOSs with soc for spin-up and spin-down separately. Regards, Yonghong Zhao On 2010?08?06? 02:05, Peter Blaha wrote: > How should spaghetti know that you want to include so ?? > > x spaghetti -h lists all options for spaghetti; > > x spaghetti -so -up/dn will do the job. > > Am 05.08.2010 21:57, schrieb yhzhao: >> Dear Prof. Blaha, >> >> Can you tell me how to plot the spin-polarized band structure with >> spin-orbital coupling of bcc Fe? >> I have done as follows, but I failed to get the band with SOC. >> >> runsp_lapw -cc 0.00001 >> initso_lapw >> runsp_lapw -so -cc 0.00001 >> x lapw1 -band -up >> x lapw1 -band -dn >> x lapwso -c -band -up >> x spaghetti -up >> x spaghetti -dn >> >> >> As above steps, it looks like I have not including the SOC effect. Can >> you help me? >> >> Regards, >> >> Yonghong >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >
