Re: [Wien] Coefficients in SOC calculations

Hi, No, the vect-arrays in lapwso are the coefficients in the basis of the scalar-relativistic orbitals. That's probably not what you want. From lapwso.def you can see that the unit 42 (41) are the case..vectorso files. They are written in kptout.F Check for unformatted writes to "ms" or "

[Wien] Coefficients in SOC calculations

Dear WIEN2k users, I hope to obtain the coefficients for eigenvectors in case of including spin-orbit coupling, and have read below comments. # http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01780.html # http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07304.html In