[Pw_forum] About LDOs calcualtions at fermi level

[saqib javaid]

Dear  paulo,
Thanks a lot for your reply. If i understand correctly, epsilon is the 
smearing applied in SCF cycle ???
secondly, as per input description on QE website, emin and emax are in 
eV. Is there some kind of contradiction??
waiting for your response
With best regards
Saqib javaid
univeristy of strasbourg.

Lorenzo Paulatto wrote:
> On Thu, 14 Jan 2010 15:53:09 +0100, saqib javaid  
> <javaid at ipcms.u-strasbg.fr> wrote:
>   
>> Later i used plot_num 10 with emin=Ef and
>> emax is very small(1mev) to ensure that i get almost the same LDOS as
>> option3.
>>     
>
> Dear Saqib,
> I think you have to use emin=Efermi and emax=Efermi+\epsilon in order to  
> do what you are trying to do. Don't forget to divide the integrated LDOS  
> by epsilon, afterward. Furthermore (according to the code), emin and emax  
> have to specified in Rydberg; I recon it is quite annoying, provided that  
> Efermi is printed in eV.
>
> best regards
>
>