<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:12pt"><div style="" class="">Thank you, <span style="" class="">Cristian!</span></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,Sans-Serif; background-color: transparent; font-style: normal;" class=""><br style="" class=""></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,Sans-Serif; background-color: transparent; font-style: normal;" class="">As far as I understand your suggestion, I need to produce another pseudopotential with bigger number of projectors in the PAW scheme. I am not that familiar with constructing pseudopotentials, so I need now to think how to proceed further... Most likely to read more about constructing pseudopotential...
</div><br style="" class="">Thank you again,<br style="" class="">Yevgen.<br style="" class="">P.S. Just to add to that spectrum I obtained: when I
look closer to that quickly falling tail, I see that there are some
oscillatory features which happen at the energies I kind of expect (I
compared it with a theoretical spectrum with a similar composition
computed by WIEN2k I found in the literature. That one had a normal tail as
expected).<br style="" class=""></div></body></html>