[Pw_forum] how to conver to unit of eV/atom in supercell?

[vicky singh]

hi
there is a simple convertion factor of    1 Rydberg (Ry ) = 13.6056981 eV
and 1 eV =1.60217733 x 10-19 Joules. use it

kaushal

On Wed, Feb 3, 2010 at 9:29 PM, Wong Kelvin <wongkc81 at gmail.com> wrote:

> Dear all
>
> when i calculate a single atomc Cu primitive cell, the energy is ~ -87 Ry.
> How to convert it to the eV/atom which normally is around -3.7 eV?
>
> Thanks
> Wong
>
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