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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
- Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Marcel Mohr, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Matthieu Verstraete, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Matthieu Verstraete, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Matthieu Verstraete, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Matthieu Verstraete, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Matthieu Verstraete, 08/27/2007
- Re: [abinit-forum] Restart of phonon calculation, Katalin Gaal-Nagy, 08/27/2007
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