The ABINIT Users Mailing List ( CLOSED )

[lichenliang1980@yahoo.com.cn]

Hello,
    I had computed the rare-earth halids with PAW method but I obtained the 
total energy that is positive number. Someone else computed the total energy 
of rare-earth halids that is negative. I refered to some literatures and 
found that the total energy of other materials is almost negative.So I want 
to ask if the total energy should be negative.If the total energy should be 
negative ,I should how to modify my result.
Thanks
li