Replies : 2 Last Post : May 16, 2017 (Tue) 15:50:15
Posted on : May 13, 2017 (Sat) 03:26:10
I would like to obtain elastic properties from cpa calculations. I have checked out the forum to find something related to it, but, there was no post related to it.
Could you explain how I can obtain elastic properties from an output file, please?
I appreciate your help.
Posted on : May 16, 2017 (Tue) 22:20:12
Thank you for the reply.
If I figure out how to calculate elastic properties, then, I will share it with you for further works. I think it will make out your codes more interesting.
Posted on : May 16, 2017 (Tue) 15:50:15
by Hitoshi GOMI
I also interested in elastic properties and am working on it.
Ideally speaking, they can be calculated from the total energy in the same way as done with other first-principles packages.
But, at this moment, I have never get reasonable values... I feel it is sometimes tricky to keep the calculation settings unchanged.
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