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partial response function calculations


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  • From: uludoganmustafa@yahoo.com
  • To: forum@abinit.org
  • Subject: partial response function calculations
  • Date: Thu, 8 Dec 2005 00:31:43 +0100

Hi,
I am running abinit parallel version on our supercomputing center. But the
problem is I have CPU and CPU time limitation. Is it possible to calculate
response functions partially and then join them with mrgddb?
I.e In the main input file I have
rfatpol 1 5
rfdir 1 1 1

Is it possible to split main input file into 3 input files with
rfatpol 1 5
rfdir 1 0 0

rfatpol 1 5
rfdir 0 1 0
and
rfatpol 1 5
rfdir 0 0 1

then merge these 3 DDB files with mrgddb.
Yours
Mustafa Uludogan
Department of Chemical Engineering TAMU


  • partial response function calculations, uludoganmustafa, 12/08/2005

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