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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
- How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?, Mike, 09/02/2002
- Re: [abinit-forum] How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?, Xavier Gonze, 09/16/2002
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