[Wien] Optical properties

2022-09-27 Thread Chukwuemeka Okoye
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)

Re: [Wien] Optical properties

2022-09-27 Thread Peter Blaha
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

Re: [Wien] Optical properties

2022-09-27 Thread Chukwuemeka Okoye
Thanks a lot Prof. Blaha. Some of my concerns were addressed by your response. I still need guidance on the following: Recall that the material is a half-metal which is metallic in the dn-spin channel and semiconducting in the up-spin channel. When switch 6 is used for the metallic down-spin