Thank you, Cristian!
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... Thank you again, Yevgen. 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). -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140722/a67837d1/attachment.html
