Dear all, I will appreciate some clarifications on the calculation of optical properties of half metal in which the majority (spin up) channel is semiconducting and metallic in the spin down channel. After calculating optic -up(-dn) the following steps were followed. (i) For spin down (metallic) channel: Calculate joint -dn (with switch 6); Calculate joint -dn (with switch 4) *Question*:How can the intraband and interband contributions be extracted separately for this metallic spin down channel? (ii) For the semiconducting spin up channel, switch 4 was used to calculate joint -up. *Question*: Where are the interband contributions written or does the new outcome overwrite the earlier one? (iii) joint-updn_lapw *Question*: Is it necessary to use switch 6 in inkram, since we have both semiconducting and metallic channels mixed in (iii) above? If 1 is used in line 3 of inkram, shall we regard the outcome of x kram as 'sum' of both intraband and interband transitions?
Thanks for your kind assistance. Chukwuemeka Okoye *------------------------------Chukwuemeka M I Okoye* *Department of Physics and Astronomy,* *University of Nigeria, * *Nsukka, Enugu State,* *Nigeria* Telephone: +234 7038766990 E-mail: cmi.ok...@unn.edu.ng
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