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Re: [abinit-forum] How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?


Chronological Thread 
  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?
  • Date: Mon, 16 Sep 2002 15:30:57 +0200

Dear Mike,

Mike wrote:
> I conducted a response function calculation and then used IFC to analyze
> DDB file, but I got the ERROR as follows:
>
> The lowest mode appears to be a "true" negative mode,
> and not an acoustic mode. This precludes the computation
> of the frequency-dependent dielectric tensor.
> Action : likely there is no action to be taken, although you,
> could try to raise your convergence parameters (ecut and k-points).
> For your information, here are the four lowest frequencies :
> -1.44436452E-03 -1.44432637E-03 -1.40826927E-03 -1.00781976E-03
>
>

Could you send the input file to IFC, as well as
some input file(s) of the corresponding ABINIS
calculation ? This is needed to see what kind of system
you have ...

Thanks,
Xavier




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