[Wien] SOC basic question

Dear Lukasz, I am by no means an expert so expect one of those to correct me, but maybe I can help a little by pointing out information you find in the UG section 7.4: The energy parameter positions a local orbital p1/2 radial wavefunction. The LO is used to extend the set of basis functions that

[Wien] SOC basic question

Hello All, We are trying to calculate bulk Bi2Te3. It seems to work fine, and the results are very similar to the published ones. We did spin-orbit for Bi only, and now we are trying for both Bi and Te. We try to use the following parameters in case.inso file: 1 0.30 0.000 CONT a