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Re: [abinit-forum] Is it possible to compose the DDB files using 1WF files?


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  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Is it possible to compose the DDB files using 1WF files?
  • Date: Mon, 15 Jan 2007 09:08:20 +0100

Dear Yunhee Chang,

I am not completely sure to understand what you mean., but I think the
answer is yes.
Let's say that if you want to merge the DDBs into one, you can use the
MRGDDB tool, http://www.abinit.org/Infos_v5.2/users/mrgddb_help.html .
If you want to restart form existing 1WF, obtained in several different runs,
at the same q point, ABINIT can do this also, just try ...

Regards,
Xavier

On 09 Jan 2007, at 15:04, yunhee.chang@kriss.re.kr wrote:

Dear Abinit users,

I'm calculating the phonon frequencies in Abinit.
When I get phonon frequencies at one qpoint,
the DDB file is formed using previous calculated 2DTE and 1WF datas.
At that time, if I had 1WF files seperately (not at same output files),
is it possible to make DDB files using these seperated 1WF files?
I'm wonder is it possible or not?

Would you give me any comments?

Best regards,
Yunhee Chang





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