<div dir="ltr">Hi, carlos,<div><br><div>    I didn't use smearing before so i am not sure if i got your point, but <a href="https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT.html" style="font-family:monospace;text-transform:uppercase" target="_blank">CP2K_INPUT</a><span style="color:rgb(0,0,0);font-family:monospace;text-transform:uppercase"> / </span><a href="https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL.html" style="font-family:monospace;text-transform:uppercase" target="_blank">FORCE_EVAL</a><span style="color:rgb(0,0,0);font-family:monospace;text-transform:uppercase"> / </span><a href="https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS.html" style="font-family:monospace;text-transform:uppercase" target="_blank"><wbr>SUBSYS</a><span style="color:rgb(0,0,0);font-family:monospace;text-transform:uppercase"> / </span><a href="https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND.html" style="font-family:monospace;text-transform:uppercase" target="_blank">KIND</a><span style="color:rgb(0,0,0);font-family:monospace;text-transform:uppercase"> / </span><a href="https://manual.cp2k.org/cp2k-4_1-branch/CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/BS.html" style="font-family:monospace;text-transform:uppercase" target="_blank">BS</a> might help to set occupations of the spin orbits,</div><div><br></div><div>Yingchun</div></div></div>