Re: [Wien] Optical property calculation when spin orbit added

Hello Chami, here's an example of command sequence I used recently (using version 14) to calculate case.epsilonup with both SO and Hubbard U. init_lapw initso_lapw runsp_lapw -orb -so # edit case.in2c (replace TOT by FERMI) runsp_lapw -s lapw1 -e lcore -orb -so x optic -c -orb -so -up x joint

[Wien] Optical property calculation when spin orbit added

Dear Prof. Blaha and developers. I am using Wien2k 14.1 version. I need to calculate the optical absorption spectrum of a SPIN POLARIZED (sp) system with spin orbital (SO) coupling and  hubbard-U. I finished a SCF calculation with sp,SO, and hubbard U.Now I want to calculate the absorption