[Wien] problems in lapw3

[B. Yanchitsky]

Peter Blaha wrote:
> I think interchanging the indices in rotdef.f of SRC_lapw3 
> should fix the problem.

Yes, this works, but also the line
REAL(8),INTENT(IN)  :: pos(3,ndif),tau(3,iord)
must be changed to
REAL(8),INTENT(IN)  :: pos(nat*48,3),tau(3,iord)

I placed changed rotdef.f in attachment, it looks that all is correct now.
I have another question, is it possible to change the code in such a way to print atomic
factors for some predefined mesh of k-points? Total structure factor is nonzero only
for translation vectors in k-space, but atomic factors are nonzero everywhere.

Bogdan Yanchitsky
Institute of Magnetism
Vernadsky Blvd., 36-b
03142  Kiev
UKRAINE

Tel. (+380-44) 444 34 20
Fax. (+380-44) 444 10 20
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