[Wien] Al2O3: error in LAPW1

[Mario Rentería]

Dear Wien users:

we are trying to calculate EFGs in pure Al2O3 
(hexagonal structure) and we obtained
an error in LAPW1:
"segmentation fault (core dumped)"
We obtain this error when we use a cell with 
the  30 inequivalent atoms  (atached below as "al2o330P" and "al2o330H").
We do not obtain the error when we use an struct 
of 10 atoms with 2 inequivalent atoms("al2o310"), 
generated also from the previous
cells al2o330P or al2o330H. This 10 atoms cell is 
the same as that given as an example in the Wien2K structs.

al2o330P: obtained using "P" (primitive cell)
al2o330H: obtained using "H" (hexagonal cell).
al2o310 : generated  from the previous al2o330P or al2o330H


Thanks



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Dr. Mario Rentería
Departamento de Física  e IFLP (CONICET)
Facultad de Ciencias Exactas
Universidad Nacional de La Plata
WEB: www.fisica.unlp.edu.ar
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