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[Francois Detraux <francois.detraux@skynet.be>]

Hello,

this is a mistake, the acell parameter you mention (I think
this comes from de PhD thesis of Ph. Ghosez) should be in
angstrom.

F. Detraux

-----Message d'origine-----
De : Yongting Ma [mailto:ytma@gwu.edu]
Envoye : vendredi 28 mai 2004 2:04
A : forum@abinit.org
Objet : [abinit-forum] very big differece on calcalation on BaTiO3


Hi, All:

  The difference of my calculation of the optimized lattice constan  and
Energy of the cubic with other is about 100%. The detail is in attachment.

Can you give me some information about that!

Thank you
Yongting