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Anonymous @ 08:13 PM on 15 Feb 2010
How to calcualte elastic constants with this?
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Eric Isaacs @ 03:30 AM on 28 May 2010
There is a good amount of information on the SIESTA mailing list regarding this topic. In addition, I would recommend the following blog post:
http://hartree-fock.blogspot.com/2008/03/how-to-calculate-elastic-constants-with.html
It might be the case that the nanoHUB version of this software does not provide enough versatility for this purpose.
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Eric Isaacs @ on
There is a good amount of information on the SIESTA mailing list regarding this topic. In addition, I would recommend the following blog post:
http://hartree-fock.blogspot.com/2008/03/how-to-calculate-elastic-constants-with.html
It might be the case that the nanoHUB version of this software does not provide enough versatility for this purpose.
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