[Wien] Fe(111) surface - LAPW0 error

[Sun Yiyang]

Dear WIEN2k users,
 
I'm trying to do a surface calculation on Fe(111) surface.
I followed the introduction by S.Cottenier to set up 
the linearization energies (see attached .in1). 
I used a 13-layer slab and a vacuum region equivalent 
to 13 bulk interlayer spacings (see attached .struct). 
The lattice constant I got is 5.3346 a.u.
Running init_lapw is ok, where I used -7.0 Ry for the 
separation energy. Mixing factor is changed to 0.10.
I used 200 k-points (10x10x1). Calculation is spin-polarized.
But when I runsp_lapw. It stops at the first LAPW0
with an error line in LAPW0.error 
"Error in LAPW0". No other error message.
Can anybody give some idea on this? Many thanks!
 
Yiyang
 
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