forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Response function calculation of the dynamical matrix at Gamma.

From: Yongting Ma <ytma@gwu.edu>
To: forum@abinit.org
Subject: Response function calculation of the dynamical matrix at Gamma.
Date: Sun, 11 Jul 2004 11:19:52 -0400
Priority: normal

Dear abinitors:
In tutorial 5.4, I have known the response function calculation of the
dynamicla matrix at Gamma,but it takes into account the coupling between
atomic displacement and homogeneous electric field.

Now I want to calculate the dynamical matrix at Gamma only including the
atomic displacement, discarding the homogeneous electric field.
Can you give me some information?
Thans a lot.
Ma

Response function calculation of the dynamical matrix at Gamma., Yongting Ma, 07/11/2004