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In response function, kptopt=0 cannot be used?


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  • From: yunhee.chang@kriss.re.kr
  • To: forum@abinit.org
  • Subject: In response function, kptopt=0 cannot be used?
  • Date: Fri, 14 Jul 2006 03:05:27 +0200

Dear Abinit users,

When I calculate the response function for getting the phonon dispersion,
I cannot use the kptopt=0 option?
To calculate the self-consistent response function computations of the
atomic displacement perturbations with a q wavevector, I have to use the full
set of special points (with kptopt=3)?
When I want to put the kpoint at will, is there any methods?
I want to use kptopt=0 and put the kpoints definetely.

Please let me know about the rule of the input files.
Would you give me any comments?

Best regards,
Yunhee Chang


  • In response function, kptopt=0 cannot be used?, yunhee . chang, 07/14/2006

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