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

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[Wien] error in compilation

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

So it seems you could get rid of the ghostband of l=0 character, but a new one appeared with l=1 character. You correctly added a l=1 lo in case.in1, but you have to adapt its energy. A first guess would be to increase it from 1.3 Ry to 2.5 Ry (near the energy, where your ghostband appears).

[Wien] Tr : elastic

/home/wien/Desktop/home/cluster/wien2k/08/genetempl: Command not found. Exactly this is the problem. You should have a program genetempl in wien2k, but it seems missing ... -- P.Blaha

[Wien] error in compilation

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[Wien] SCF crash, XLF IBM

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