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Is it right way to get a complete dynamical matrix?


Chronological Thread 
  • From: zmq.lyao@gmail.com
  • To: forum@abinit.org
  • Subject: Is it right way to get a complete dynamical matrix?
  • Date: Mon, 11 Dec 2006 10:17:20 +0100

Dear Abinit users,
I have a question about a response function calculation at Gamma point
needing long time. Because of the time limit of server, I can't finish the
calculation in the time limit. It seem that Abinit can't restart the electric
field perturbation and phonons calculation. So, I have to seperate the
calculation into several parts. For example, if I have 40 atoms to perturb, I
want to separate them into 4 parts, like
rfatpol 1 10
rfatpol 11 20
rfatpol 21 30
rfatpol 31 40

and perform 4 runs, than merge the 4 DDB files with MRGDDB. Is it right way
to get a complete dynamical matrix? Thanks in advance.

Best regard,
Z.Qi



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