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- From: mikey_lee@263.sina.com
- To: forum@abinit.org
- Subject: When implement elastic constant?
- Date: Tue, 4 Mar 2003 06:57:01 +0100
I focus to the elastic constant of materials. I get the ground-state total
energy and perturbation energy when x-axis acell is +0.001 from abinit. The
2DTE is computed from those. But the c11 is wrong. I find the elastic
constant can be computed by respond function from abinit help files, but it
can not be implement until the recent version 4.0.3. So I want to know when
implement elastic constant. And who know how to get elastic constant?
- When implement elastic constant?, mikey_lee, 03/04/2003
- Mulliken charge analyse, Konstantin Z. Rushchanskii, 03/05/2003
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