[Wien] lapwsopara error

[Lyudmila Dobysheva]

06.03.2017 01:14, Md. Fhokrul Islam wrote:
> I am trying to do anisotropy calculation of some magnetic impurities in
> bulk Sb2Se3 topological
> insulator using force theorem. It works fine if I chose magnetization
> axis in the xy-plane (1 1 0 in
> case.inso file) but it crashes when magnetization is along z-axis (0 0 1
> in case inso). I tried with
> two different types of impurity (Mn and Cr) but in both cases I get the
> same error message:
> **  LAPWSO crashed!

You have done the initso for _both_ directions, haven't you?
That is, two initso's?
If so - try to obtain and give us more information, now it's not clear.

By the way, in this case I'd prefer to take one and the same structure 
file for oth calculations with the largest possible set of mutual 
symmetries.

Best wishes
   Lyudmila Dobysheva
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