[Wien] Gd2O3 Hubbard U

[delamora]

I am trying to calculate
Gd2O3  space group; Ia-3
it has 3 atomic positions
Gd 24d
Gd 8b
O 48e
I run the
init_orb -orb
and then I run it
in the first iteration it runs well, but it stops in the second iterarion, running "orb";
------------
lapw0 -p
orb -up -p
no existe correspondencia

stop error
-----------
Is it that the unit cell has 40 atoms?

Saludos

Pablo
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