[Pw_forum] Calculations for local density of states within the Wigner-Seitz radius

Hong, SamPyo likedew at phys.ksu.edu
Mon Sep 11 21:37:22 CEST 2006

Hello, dear users
It is often interesting and physically important to calculate local density of states (or charge density) within the Wigner-Seitz Radius around a given atom, despite the fact that the radius cannot be determined unambiguously.
How can this be done in the code? Or any suggestions?
Sampyo Hong
 Research Associate
 Department of Physics, Kansas State University, Manhattan, KS 66506, USA.
 E-Mail: likedew at phys.ksu.edu   WEB: http://www.phys.ksu.edu/personal/likedew 
 Phone: +1-785-532-1642            FAX:   +1-785-532-6806
 Favorite quotation: 
      "God demonstrates his own love for us in this: While we were still sinners, Christ died for us."
-------------- next part --------------
A non-text attachment was scrubbed...
Name: winmail.dat
Type: application/ms-tnef
Size: 5430 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20060911/d31bf9ca/attachment.bin>

More information about the users mailing list