====== Vacancies calculation with Quanty? ======
;;#
asked by [[mailto:2000011868@stu.pku.edu.cn|Ling Ye]] (2024/06/07 08:24)
;;#
== ==
<WRAP center box 100%>
Dear Maurits,

Hello!

I was trying to see if there is spin on hBN with defects with the expectation value calculation of Quanty. However, for vacancies on hBN, I can't seem to define the spin-orbitals nicely. Is there a way to get pass that and still run the calculation with Quanty?

Best wishes,
Chris Ling




</WRAP>

~~DISCUSSION|Answers~~