[Wien] optical properties calculations?

> For the cases of non-spinpolarized spin-orbit coupling, I can also take the > following procedure to do the calculations --- > > First change TOT to FERMI and also use TETRA with a value of 101.0 in > case.in2c > >>(run_lapw) options: -so -s lapw1 -e lcore -p > Thu Oct 14 21:44:00 MDT 201

[Wien] optical properties calculations?

Dear Peter, Thanks for the clarification. I put in some further comments below. On Oct 17, 2010, at 11:55 PM, Peter Blaha wrote: > >> For the cases of non-spinpolarized spin-orbit coupling, I can also take the >> following procedure to do the calculations --- >> >> First change TOT to FER