Re: [Wien] DOS with SOC

Dear Gary, start with lapw1 (don't forget -qtl) and then lapwso. Kind regards, Karel On Fri, 17 May 2024, Gary Amini wrote: Dear all, When calculating DOS with SOC, is it correct to do x lapw2 -so -up -qtl x lapw2 -so -dn -qtl    x tetra -up -so x tetra -dn -so or should we run lapwso

[Wien] DOS with SOC

Dear all, When calculating DOS with SOC, is it correct to do x lapw2 -so -up -qtl x lapw2 -so -dn -qtl x tetra -up -so x tetra -dn -so or should we run lapwso also? Best, Gary ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at