[Pw_forum] radius of the sphere to calculate the projected density of states (ACTUALLY BAND STRUCTURE OF Si)

Giovanni Cantele giovanni.cantele at spin.cnr.it
Tue Apr 19 13:10:49 CEST 2011

On Apr 19, 2011, at 12:26 PM, boudjemaa bouaouina wrote:

> Dear all,
> I want to plot energy band for silicon, I have the scf calculation, and now how to plot energy band function with K
> thank you
> bouaouina

I apologize if I'm wrong, but it seems to me that this question as nothing to do with "radius of the sphere to calculate the projected density of states"
as reported in the subject.

According to what suggested here:
you should:
i) sign your post with your name and affiliation
ii) choose a meaningful subject. Do not use "reply" to start a new thread

Mostly important (always quoting from the above link), "Before posting, please: browse or search the archives - ..... Most questions are asked over and over again. Also: make an attempt to search the available documentation, notably the FAQ, the User Guide, and the Input Data Description. The answer to most questions is already there."

In this specific case, browsing the User Guide would take you to the following link:
where, among the other things it is suggested to "See Examples 01, 05, 08"

If you now cd the espresso-x.x.x/examples directory on your PC, the README file says: 
    This example shows how to use pw.x to calculate the total energy
    and the band structure of four simple systems: Si, Al, Cu, Ni.

So, not only you get an answer, but in this specific case, browsing example01, you're so lucky that
someone already wrote all the input files  you need!!!!



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Giovanni Cantele, PhD
CNR-SPIN and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
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