[Pw_forum] About LDOs calcualtions at fermi level

[saqib javaid]

Dear lorenzo,
What kind of information would you like to have?? I was wondering 
whether num_plot=3 option for LDOS at Ef may also be taking smearing 
into account. Therefore, when i increase epsilon( i.e Emax=Ef+eps.) to 
higher values (around 0.15eV), i start getting good agreement between 
option 3 and option 10 in pp.x.
However for very small values like 1meV, the comparison is not good.
Looking forward to your response
saqib javaid
University of Strasbourg
Lorenzo Paulatto wrote:
> On Thu, 14 Jan 2010 18:05:38 +0100, saqib javaid  
> <javaid at ipcms.u-strasbg.fr> wrote:
>   
>> Dear paulo,
>>     
>
> I'm still Lorenzo.
>
>   
>> Infact i have always been doing Emax=Ef+epsilon ( i have seen my first
>> email and this point is not clear, so i am sorry for that) and yet LDOS
>> are quite different.
>>     
>
> At this point you'll have to give further details if you want further  
> advice, as I cannot see any possible source for you problem.
>
>   
>> As for the units, if i understood correctly, it is
>> OK to give emin and emax in eV???
>>     
>
> Yes, it is ok.
>
> cheers
>
>