Re: [Wien] Optical properties with SO coupling

2017-10-06 Thread lokanath patra
So what I understood is: If I want to calculate the total optical properties of the compound, I have to run addjoint_updn -lapw then I should proceed with x kram. If I want to calculate the spin resolved optical properties, then I have to run x joint -up/dn and then x kram -up/dn. No need to run

Re: [Wien] Optical properties with SO coupling

2017-10-06 Thread Fecher, Gerhard
maybe I was still not clear enough: x kram -up might work on the commandline but it does NOT work in w2web when using TASKS OPTIC ! Ciao Gerhard DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known

Re: [Wien] Optical properties with SO coupling

2017-10-06 Thread Jaroslav Hamrle
Dear Gerhard, dear Gavin, as written in last email of Gavin, I think: In case of spin-polarized case without so, the optical transitions for up, down spins are written in case.jointup, case.jointdn, each one containing only optical transitions for corresponding up/down electrons. Program