[Pw_forum] GWW for metal

ali kazempour kazempoor2000 at yahoo.com
Mon Jun 21 09:47:31 CEST 2010


Dear Stefano
Thanks for reply. I have another question:
In GW calculation the number of empty states is important, But as I found in GWW It is independent of empty states Unlike SAX( that the nbnd is 4*valence band)? Am I right?
Thanks

Ali Kazempour







Fritz-Haber-Institut              fax   : ++49-30-8413 4701

der Max-Planck-Gesellschaft

Faradayweg 4-6                    e-mail: kazempou at fhi-berlin.mpg.de

D-14 195 Berlin-Dahlem / German

--- On Sun, 6/20/10, Stefano Baroni <baroni at sissa.it> wrote:

From: Stefano Baroni <baroni at sissa.it>
Subject: Re: [Pw_forum] GWW for metal
To: "PWSCF Forum" <pw_forum at pwscf.org>
Date: Sunday, June 20, 2010, 11:52 PM

NO - SB
On Jun 21, 2010, at 8:00 AM, ali kazempour wrote:
Dear all
Can GWW be used for obtaining  QP spectra in metals or unpaired states?
Thanks a lot

Ali Kazempour







Fritz-Haber-Institut              fax   : ++49-30-8413 4701

der Max-Planck-Gesellschaft

Faradayweg 4-6                    e-mail: kazempou at fhi-berlin.mpg.de

D-14 195 Berlin-Dahlem / German


      _______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum


---Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Triestehttp://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget
Please, if possible, don't  send me MS Word or PowerPoint attachmentsWhy? See:  http://www.gnu.org/philosophy/no-word-attachments.html









-----Inline Attachment Follows-----

_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum



      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100621/3692da35/attachment.html>


More information about the users mailing list