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Re: [abinit-forum] Restart of phonon calculation


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  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Restart of phonon calculation
  • Date: Mon, 27 Aug 2007 16:23:18 +0100 (BST)


The format is fine. The only novelty will be the etsf netcdf format, which works for the ground state but I don't think for 1WF. In any event, you have to use all files in one mode or the other (no mixing of binary and netcdf).

You can check the integrity of the 1WF files by reading them with cut3d and outputing the last kpt/band as a text file. This should only be possible if the file is consistent... A kind of hack, but hey. If the file is fine, no idea.

Why do you need to read in the 1WF at all?

Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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