forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] DFPT with spin-orbit coupling

From: "Luis DIAZ" <ledssiul@gmail.com>
To: forum@abinit.org
Subject: [abinit-forum] DFPT with spin-orbit coupling
Date: Sun, 21 Dec 2008 11:53:27 -0600
Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:mime-version:content-type :content-transfer-encoding:content-disposition; b=pJu8hE800AYj2RSuwa+uIyIkrPzAuttz9CUUMjzkYTuffAwrgT75qlZX9pT9o/6yTD AMuS8BsOtt6jfdM4iOHZnqDgpovjZz625fI+fr6ZyORbDTxlJ1Ebpb1wOfblgmPP7yoI vrIIxJQOMaiQqbTxabpG6tM0hBsvjXIB8HmzU=

Dear all,

I was reading the response functions (RF) tutorial and noticed that is
wrong documented that it is not possible to do RF calculations
including spin-orbit coupling. But this work was already done and
published,

M. J. Verstraete, et. al., Phys. Rev. B, 78 (2008) 045119

I took a look in the abinit web page tutorial and also in the v5.6.4
documentation. Please, see the "Description of perturbations" section,

.../abinit-5.6.4/doc/users/respfn_help.html
http://www.abinit.org/Infos_v5.6/users/respfn_help.html

Could some one correct this issue for future versions?

Best regards,

Luis Diaz

================================
Luis Diaz, PhD student
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
CINVESTAV-QUERETARO
Libramiento Norponiente 2000
Frac. Real de Juriquilla
76230 Queretaro, Qro.
MEXICO
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Phone: +52 (442) 4414948
Fax: +52 (442) 4414933
===============================
e-mail: lediaz@qro.cinvestav.mx
ledssiul@gmail.com
LE.DiazSanchez@gmail.com

[abinit-forum] DFPT with spin-orbit coupling, Luis DIAZ, 12/21/2008