[Wien] QTL-B message in scf2 after x lapw2 -qtl

Dear Prof.Blaha: Thank you very much for your kind help. Always modify the energy parameters of the atom and l, where qtl-bs occur. I understand. Thank you. (The purpose of my strange procedure was to check it by changing atom2,l=0's energy parameter 2.5-4Ry..) And small values like 2.x

[Wien] QTL-B message in scf2 after x lapw2 -qtl

Dear Prof.Blaha: Thank you very much for your kind answer to my question about details. I must say, about most interested energy range(for me) 0-2Ry from Fermi level, I could get rid of ghost band by your first advise. But I want to get rid of as higher range as possible... So please let me

[Wien] QTL-B message in scf2 after x lapw2 -qtl

Dear Peter Blaha and Lyudmila Dobysheva: Thank you very much for your kind answers! I'm interested in XAS calculation, and want to have no ghost band in 0-3Ry(especially 0-2Ry) above Fermi energy as much as I can. So I changed energy parameters of Atom2's L=0 to -1.46 and 1.3, as Prof.Blaha's

[Wien] QTL-B message in scf2 after x lapw2 -qtl

Dear WIEN2k-users, I'm a beginner of ab-initio calculation. I calculated MgO's DOS by WIEN2k_11.1, and DOS's graph looks well for me, but I wonder whether my calculation works well. Because I found message as below in scf2 file (below). -- QTL-B VALUE .EQ. 84.31874 in Band of