[Pw_forum] Total energy too low

[David Furman]

Dear users,

 

I am new to Quantum Espresso and still in the stages of learning. I
calculated the total energy (SCF) of Europium oxide (cubic) at the
experimental

lattice length and at additional shorter lengths to get the equation of
state of the material.

 

The energies after each calculation are in the range of -1775 - (-1774) Ry,
which I believe is out of range and indicate probably something is wrong.

I have checked the unit cell appearance with xcrysden and it looks fine.

 

I've never met a system with energy low as on the order of minus a few
thousand Rydbergs. (I would expect something between 1-50 Rydbergs)

 

Has anybody encountered such a problem ? Anyone has a clue ? I'd be happy to
get some help .

 

Thanks

 

 

David Furman, Graduate Student | Fritz Haber Research Center for 

Molecular Dynamics, The Hebrew University of Jerusalem | +972-8656-8909

 

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