[Wien] Ir

[delamora]

Dear WIEN2k community,

I calculated the Ir metal;

FCC, a=3.839A

If I put "SO" or "U" it converges without a problem,

        runsp -so

        runsp -orb

but if I put "SO" and "U"

        runsp -so -orb

then it stops after lapw2 dn

I have defined

        Ir.struct

        Ir.inorb

        Ir.indm

        Ir.indmc


I am curious about this problem, although I am not interested in the results since

after

        runsp -orb

the magnetic moment :MMT=0


On the other hand if I put IrO2 (rutile) it runs without a problem


What is special for Ir metal to give this problem


Cheers


      Pablo de la Mora
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