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RE: [abinit-forum] Response function calculation of the dynamical matrix at Gamma.


Chronological Thread 
  • From: "Wu Rongqin" <g0203654@nus.edu.sg>
  • To: <forum@abinit.org>
  • Subject: RE: [abinit-forum] Response function calculation of the dynamical matrix at Gamma.
  • Date: Sun, 11 Jul 2004 23:49:52 +0800

If you get rid off the electric field parameters, I think it is solved

-----Original Message-----
From: Yongting Ma [mailto:ytma@gwu.edu]
Sent: 2004年7月11日 23:20
To: forum@abinit.org
Subject: [abinit-forum] Response function calculation of the dynamical matrix
at Gamma.

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





  • RE: [abinit-forum] Response function calculation of the dynamical matrix at Gamma., Wu Rongqin, 07/11/2004

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