The ABINIT Users Mailing List ( CLOSED )

[francois.lallet@umontreal.ca]

Dear users,

I try to optimize the structure of Y2O3 bixbyite.
In the input file, I wrote the ionic positions using the reduced coordinates. 
I simply followed the coordinates given in Wyckoff "Crystal Structures". 
However, Abinit doesn't recognize the space group (Ia-3)...
Any idea?
Thank you all.

Francois