<div dir="ltr">Hello, <div><br></div><div style>Looking at the User Guide, under the section about lapw2, it appears that the options for running it are </div><div style><br></div><div style><div>x lapw2 [-c -up|dn -p -so -qtl -fermi -efg -hf -band -eece</div>
<div>-vresp -help files -emin X -all X Y]</div><div><br></div><div style>but when running DFT+U, I see in the dayfile </div><div style><br></div><div style><div>> lapw2 -dn -p -orb (11:37:30) running LAPW2 in parallel mode</div>
<div><br></div><div style>My question is, when running 'x lapw2 -qtl' or 'x lapw2 -emin xxx' for DOS or electron/spin density of a DFT+U calculation, do we need the -orb flag? And also, I have the same question with regard to calculations with spin-orbit coupling. Is the -so flag needed in that case?</div>
<div style><br></div><div style>Sincerely, </div><div style><br></div><div style>Oliver Albertini</div></div></div></div>