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["Jerome" <889180013@s89.tku.edu.tw>]

Hello,
I don't think the energy is very important, because the difference is more
important.
But in your fig. (although I don't know too much about it), are you sure the
unit is "Bohr" ?
And the fig. is for lattice constant?

Ta,
ChiCheng

----- Original Message ----- 
From: "Yongting Ma" <ytma@gwu.edu>
To: <forum@abinit.org>
Sent: Friday, May 28, 2004 8:04 AM
Subject: [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
>
>
>