When SO is activated, this is lapwso (and not lapw1) which adds the U-potential to the Hamiltonian matrix (have a look at the file :log).
Thanks for rectifying (you probably mean 'adds SO'). I should have written for the actual scheme "lapw1 -up -band -orb -so" which may be, from U.G. program flow in p.44, has lapw1 call lapwso by itself ? Still, I do not understand this requirement for case.in1c file from lapw1 ?
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html