[Wien] Problem with fold2Bloch in real calculations

[Véronique BROUET]

Dear users,

I have recently installed the fold2Bloch procedure from Oleg Rubel and 
it works beautifully for complex calculations. Thanks a lot for this 
procedure !

However, I have a problem when using a real case. I systematically get 
an error message at the processing of the first k point : "forrtl: 
severe (174):SIGSEV, segmentation fault occurred".

It is not a problem with the case.struct or memory, because if I force 
the same case in complex mode, it works fine.

Also for spin-orbit calculations, I have an error at the processing of 
the second k point : "allocatable array is already allocated".

I have no idea where the error could come from and would appreciate 
help. I compiled fold2Bloch with ifort.

Veronique

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Véronique Brouet
Laboratoire de physique des Solides
Université Paris-Sud, Bât 510
91405 Orsay (France)
Tel : (+33) (0)1 69 15 53 34
Fax : (+33) (0)1 69 15 60 86