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Restart of phonon calculation


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  • From: Katalin Gaal-Nagy <katalin.gaal-nagy@physik.uni-regensburg.de>
  • To: forum@abinit.org
  • Subject: Restart of phonon calculation
  • Date: Mon, 27 Aug 2007 12:54:14 +0200 (CEST)

Dear all,

I tried to restart a phonon calculation. I played a little bit around with parameters for reading the first-order wavefunctions, however, I did not succeed.

My last attempt was putting in the input file

get1wf -1
getwfk -1

and renaming the output wfk from e.g. si113_oo_1WF1 to si113_oi_1WF1

In the output file the code writes
get1wf -1
getwfk -1
so it seems to be ok.

The code reads correctly the groundstate wfk, but instead of reading also the first-order wfk it writes

Initialisation of the first-order wave-functions :
ireadwf= 0

However, being a little bit lazy I still use an old version of ABINIT (abinit-5.3.4). I would like to know, if I am doing something wrong in the input, or if this is a known (maybe already solved?) problem and I just need to install a newer version, or if I have to fiddle around in the source.

Thanks for your help!

All the best,
Katalin




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