[Pw_forum] regarding charge density plot

Ari P Seitsonen Ari.P.Seitsonen at iki.fi
Sat Mar 8 19:00:46 CET 2014


Dear Himanshu,

   I don't know any direct way, hopefully some one else can help 
directly. Otherwise modifying the source code of PP, at least the 
value 5 of 'plot_num', producing STM images using the Tersoff-Hamann 
method should be close to what you want: This does it from the Fermi 
energy to the value of 'sample_bias', so modifying these limits inside the 
code would probably not be that difficult.

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Institut für Chemie der Universität Zürich, CH-8057 Zürich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Sat, 8 Mar 2014, himanshu at iopb.res.in wrote:

> Dear PWscf users,
>
>                   I have two questions.
>
> 1)Is there any possibility to calculate  charge density in a selected
> energy window?
>
> Regards
> Himanshu
> I.O.P
>
>                   Is
>
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