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["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

You may have to be more explicit about your problem if you want some
useful help.
However:
-energy in dft calculation is usualy negative
-energy is not absolute. you can only compare the energy of different
systems. It is possible that the specific pseudo you use or the
configuration of your system is such that the energy is positive with
respect to your reference...
-For more fruitful exchange I would advice (like Mikami-san) that you
follow the abinit netiquette (see
http://www.abinit.org/community/?text=netiquette). People would find
it easier to help you if they now what your doing.

best regards

PMA

On 5/30/06, lichenliang1980@yahoo.com.cn <lichenliang1980@yahoo.com.cn> wrote:
> 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



--
Pierre-Matthieu Anglade