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

[Giovanni Cantele]

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:
http://www.quantum-espresso.org/wiki/index.php/Pw_users
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:
http://www.quantum-espresso.org/user_guide/node26.html#SECTION00061020000000000000
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: 
example01:
    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!!!!



Giovanni




--

**** PLEASE NOTICE THE NEW E-MAIL ADDRESS: giovanni.cantele at spin.cnr.it

Giovanni Cantele, PhD
CNR-SPIN and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910 - Fax:   +39 081 676346
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele
                     http://www.nanomat.unina.it

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110419/2a165227/attachment.html>