[Wien] bugfix - large number of bands in wien2wannier

[Peter Blaha]

Thank you very much for your report and fix.

I'll include it in the next wien2k version.

Bet regards
Peter Blaha


Am 03.04.2020 um 11:04 schrieb Jindrich Kolorenc:
> Dear developers,
> 
> I observed (silent) crashes of wien2wannier for a large system
> (a supercell with an adatom on a surface). Looks like it is due to
> a hardcoded and unchecked assumption there there are at most 1000 bands.
> I attach a patch proposal that uses an allocatable array.
> 
> Best regards,
> Jindrich Kolorenc
> 
> 
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
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