[Pw_forum] XSpectra - tail of the spectrum falling relatively quickly
melikhovyy at yahoo.com
Tue Jul 22 11:36:54 CEST 2014
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,
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
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