forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: m_mikami@hf.rim.or.jp
- To: forum@abinit.org
- Subject: Re: Bandstructure calculation of supercell, how to set the kptbounds?
- Date: Tue, 31 Jul 2007 03:05:46 +0200
Dear Shinekin,
The following site might be helpful for such a purpose.
Bilbao Crystallographic Server(http://www.cryst.ehu.es/)
-> The k-vector types and Brillouin zones of the space groups
http://www.cryst.ehu.es/cryst/get_kvec.html
ABINIT output file indicates which space group
your cell belongs to. The information may be used
when the above site is used.
Still, the DOS(and projected DOS) may be interesting
when you compare some supercell models with different
space groups...
Regards,
Masayoshi
- Bandstructure calculation of supercell, how to set the kptbounds?, shinekin, 07/29/2007
- RE: [abinit-forum] Bandstructure calculation of supercell, how to set the kptbounds?, David Hendry, 07/30/2007
- <Possible follow-up(s)>
- Re: Bandstructure calculation of supercell, how to set the kptbounds?, m_mikami, 07/31/2007
Archive powered by MHonArc 2.6.16.