[Wien] Wien2k_13 lapw1 error

[Sven Friedemann]

Dear Peter,

thank you for your answer. I couldn't resolve it with a simple recompile.

But using WIEN2k_v14 did the job. It might be that I corrected some
compiler settings this way. Anyway, now it is running smoothly.

Best wishes,
Sven

Am 08.09.2014 14:30, schrieb Peter Blaha:
> All I can see is that your lapw0 step produces NANs.
> 
> For some reason your installation of lapw0 is broken (the xc-part inside
> the spheres in xcpot1).
> 
> Maybe recompile lapw0 and rerun   x lapw0 in this directory to see if it
> is fixed.
> 
> It has nothing to do with light/heavy elements, ....
>  Regards
> 

-- 
Dr Sven Friedemann
Lecturer
HH Wills Physics Laboratory
University of Bristol
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Bristol
BS8 1TL
UK
Tel: +44 (0) 117 928 8726
www.bristol.ac.uk/physics/people/sven-friedemann