[Pw_forum] About LDOs calcualtions at fermi level

Lorenzo Paulatto paulatto at sissa.it
Thu Jan 14 17:25:42 CET 2010


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

-- 
Lorenzo Paulatto

*** Note: my affiliation has changed! please send future
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post-doc @ IMPMC/UPMC - Université Paris 6
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