[Re:01] Post-Processing

Posted on : May 16, 2017 (Tue) 15:50:15

by Hitoshi GOMI

Hello fara,

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.

Hitoshi GOMI