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- From: "Zhang, Waigen" <wg.zhang@okstate.edu>
- To: <forum@abinit.org>
- Subject: negative elastic constant
- Date: Wed, 2 May 2007 21:05:12 -0500
Title: negative elastic constant
Dear all,
I hate to ask question about Physics concept,but....
I calculated the elastic tensor with DFPT(monoclinic structure),and the outcomes are
Elastic Tensor (relaxed ion) (unit:10^2GP):
(at fixed electric field boundary condition)
1.1283604 -3.1643805 -2.0347373 0.0000001 1.3721603 -0.0000001
-3.1643805 -13.2059771 -2.2664645 0.0000000 0.4939964 0.0000000
-2.0347373 -2.2664645 -0.0102671 0.0000000 0.7978253 -0.0000001
0.0000001 0.0000000 0.0000000 -1.1180576 0.0000000 -0.7148172
1.3721603 0.4939964 0.7978253 0.0000000 -0.5816261 0.0000001
-0.0000001 0.0000000 -0.0000001 -0.7148173 0.0000001 -2.3463341
Unstable eigenvalue detected in force constant matrix at Gamma point
The system under calculation is physically unstable.
Dose that mean the structure is mechanically not stable? If so,can I say that this structure will transfer to some other structure without any external force?
Thanks a million.
Zhang,Waigen
- negative elastic constant, Zhang, Waigen, 05/03/2007
- Re: [abinit-forum] negative elastic constant, Xifan Wu, 05/03/2007
- RE: [abinit-forum] negative elastic constant, Zhang, Waigen, 05/03/2007
- RE: [abinit-forum] negative elastic constant, Xifan Wu, 05/03/2007
- RE: [abinit-forum] negative elastic constant, Zhang, Waigen, 05/05/2007
- RE: [abinit-forum] negative elastic constant, Xifan Wu, 05/03/2007
- RE: [abinit-forum] negative elastic constant, Zhang, Waigen, 05/03/2007
- Re: [abinit-forum] negative elastic constant, Xifan Wu, 05/03/2007
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