2
$\begingroup$

I'm building multilayer structure. I build the heterostructure importing the the to phase of structure in VESTA

File -> New structure -> Phase -> Import

Now I want rotate second layer of the structure (e.g. 30∘). VESTA has a rotation matrix in Unit -> Transform

enter image description here

What is the form of this matrix? In case that I want make a matrix for an arbitrary angle (e.g. from 0∘ to 30∘) `

Last, and not less important. When I have the two structures and I export (e.g. VASP) only one of two is exported, the other is ignored.

How can I export all atoms of the heterostructure to fractional coordinates file (VASP POSCAR)?

Improve this question
$\endgroup$
4
  • $\begingroup$ Related question about the rotation part . I don't know if we have a duplicate for the other part, but this answer about selecting atoms in VESTA may help. $\endgroup$
    – Tyberius ♦
    Mar 23, 2022 at 0:30
  • $\begingroup$ Thanks! I'm checking the question about rotation, but the other part only export one of two structures. $\endgroup$
    – gvd
    Mar 23, 2022 at 9:38
  • $\begingroup$ How did things go? Have you found an answer now? Perhaps you could write a self-answer with what you've learned about this problem over the last 5.5 months? Were the suggestions by Tyberius helpful? It would be nice to get this out of the unanswered queue. Please update us! $\endgroup$
    – Nike Dattani
    Sep 7, 2022 at 14:03
  • $\begingroup$ This question appears to be abandoned. It can be reopened if OP addresses questions/suggestions from the comments. $\endgroup$
    – Tyberius ♦
    Sep 24, 2022 at 3:21

0

Reset to default