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[santosh_bobade@yahoo.com]

Dear Abinit user
I have calculate Total Energy for BaTiO3( Tetragonal)
When I use space group 123 and natom =4, it gives me -55.05 Hat.
when I use atomic cordinates, it predicts the correct sace group but Total
energy is 68. 
I am quite confused about this behaviour. In my opinion, Energy shoul have 
same value for both
i used a=b=3.98, c=4.03 and ecut =40 for both run
can anybody throw light on this aspect?

With Regards and Bestwish
Santosh Bobade
IIT Bombay
India