Dear wien2k users, I have some confusion with regard to the DOS and band structure calculations when we consider spin-orbit coupling (SOC) in strongly correlated systems. While perfoming the DOS calculation for spin-polarized case CONSIDERING SOC, I see the spin up and spin down panel with different features in DOS plot. Is it really true as SOC mixes the up/spin DOS simultaneously so that we get the combined up/dn DOS. But rather I see different feature in both up/dn channels. Does it mean that the DOS of up/dn be truncated. (I have seen several papers where spin-up and spin-down DOS considering SOC are plotted but I did not find any reasonable explanation.)
In the meantime, for bandstructure, I can have the similar bandstructure even for UP/DN. Using the following commands: x lapw1 -band -up x lapw1 -band -dn x lapwso -up x lapw2 -band -qtl -so -up x lapw2 -band -qtl -so -dn x spaghetti -up -so -p x spaghetti -dn -so -p I am interested to trucate the spinup/dn bands in bandstructure if DOS truncation is correct. I will be glad for your kind response as SPIN-ORBIT COUPLING becomes excessively important when we discuss the electronic and magnetic properties of strongly correlated systems. Thanks in advance Madhav Prasad Ghimire MANA, Nano-System Theoretical Physics Unit NIMS, Tsukuba, Japan
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