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Re: RE: [abinit-forum] Problem phonon calculation buffer size


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  • From: paul.boulanger@umontreal.ca
  • To: forum@abinit.org
  • Subject: Re: RE: [abinit-forum] Problem phonon calculation buffer size
  • Date: Fri, 12 Oct 2007 04:13:53 +0200

Hi,

Sorry, this bug in Abinit 5.4.3 stems from my implementation. It comes from
an array that scales rather badly with system sizes and that is only
necessary in the calculation of thermal corrections to the band structure. I
have corrected this bug, by making this array completely optional, which it
should have been since the start. This correction should be in Abinit 5.4.4,
to be released soon (I hope).

I am terribly sorry for the inconveniences,

Paul


  • Re: RE: [abinit-forum] Problem phonon calculation buffer size, paul . boulanger, 10/12/2007

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