Michael Brunsteiner

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Questions related from Michael Brunsteiner

How to rotate crystal structure to match with match another structure of same compound/polymorph?

Say, I have two crystal structures of a particular organic molecule, the crystal structures are basically identical, apart from a rotation and redefinition of the lattice vectors/angles, a simple...

08 January 2021 3,505 5 View

Elastic constants -- transformation/basis change P21/a->P21/n?

Hi, I just calculated the stiffness tensor for a given material (a monoclinic molecular crystal) using molecular simulation. When trying to compare my results to published experimental results I...

06 January 2021 5,738 2 View