[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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previously:
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