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How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?
Chronological Thread
- From: "Mike" <xw23@163.com>
- To: "forum@abinit.org" <forum@abinit.org>
- Subject: How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?
- Date: Mon, 2 Sep 2002 20:36:50 +0800
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
leave_new : decision taken to exit ...
I have tried several kinds of pseudopotentials and large ecut but there was
no luck. Could anyone give me reasons why that happens and how to cope with
it?
Thanks.
xw23@163.com
2002-09-02
- How to cope with the 'true negative mode' ERROR when conducting Response Function Calculation?, Mike, 09/02/2002
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