[Pw_forum] About LDOs calcualtions at fermi level

[Lorenzo Paulatto]

On Thu, 14 Jan 2010 17:35:58 +0100, saqib javaid  
<javaid at ipcms.u-strasbg.fr> wrote:
> Dear  paulo,

Lorenzo is the name.

> Thanks a lot for your reply. If i understand correctly, epsilon is the
> smearing applied in SCF cycle ???

No, it's a small number that suits your taste (e.g. the 1meV in your  
example)

> secondly, as per input description on QE website, emin and emax are in
> eV. Is there some kind of contradiction??

Nope, I rechecked and there is actually an internal conversion from eV to  
Ry.

Have you checked the other point? I.e. have you set emax to Efermi+1meV or  
just to 1meV ??

cheers


-- 
Lorenzo Paulatto

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