Hi,
If you can not see in the DOS that your system is metallic, it is probably
because your k-mesh is not dense enough to catch the regions in the
Brillouin zone where the valence and conduction bands overlap.
So, choose more k-points.
F. Tran
On Tue, 31 Dec 2013, Banaras Khan wrote:
Dear
Dear Banaras Khan,
Look for literature and make sure whether anybody is reported the band
structure of CoP3 skutterudites showing band crossing gap?
Ahmad
On Tue, Dec 31, 2013 at 8:13 PM, Banaras Khan banarasphysic...@gmail.comwrote:
Dear WIEN2k Members
I am working on CoP3 skutterudute
Physical Review B 59, 9722 (1999).
From: wien-boun...@zeus.theochem.tuwien.ac.at
[wien-boun...@zeus.theochem.tuwien.ac.at] On Behalf Of ahmad gharleghi
[ah.gharle...@gmail.com]
Sent: Tuesday, December 31, 2013 7:35 AM
To: A Mailing list for WIEN2k users
Subject:
rahimia...@ymail.com
--
Mona Rahimian MSc Student
Physics Department,
College of Sciences
Shiraz University, Shiraz, Iran
E-mail address:rahimia...@ymail.com
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
4 matches
Mail list logo