[Pw_forum] regarding the stability of system

[Giuseppe Mattioli]

Dear Mohaddeseh Abbasnejad
I'm afraid It is really impossible to really help you without knowing all the 
details of your system...
But if you have not changed the number of atoms, the total charge or the 
lattice parameters of the system, then you should trust the calculated 
energy values, of course in the limit within which you can trust DFT (e.g., 
no bonds breaking, no diradicals, ...)
HTH
Giuseppe

On Thursday, November 06, 2014 02:18:57 PM mohaddeseh abbasnejad 
wrote:
> Dear experts,
> 
> In my calculations, I have studied four different configurations of system.
> Based on the calculated energy, the stable configuration (lowest value 
of
> energy) has larger Fermi energy and the highest value of energy (less
> stable one) is related to the lowest Fermi energy. However, I have read
> that increasing the Fermi energy in the system is expected to decrease 
the
> stability. I was wondering if you would help me on which parameter 
should
> be considered to determine the stability.
> Thanks in advance.
> 
> Regards,
> M.Abbasnejad

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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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