Skip to content

Commit

Permalink
anew
Browse files Browse the repository at this point in the history
  • Loading branch information
utksi committed Jan 16, 2025
1 parent 245f39a commit e10a719
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions _posts/2024-12-12-wannier_elf.md
Original file line number Diff line number Diff line change
Expand Up @@ -86,11 +86,11 @@ $$
\text{ELF}(\mathbf{r}) = \dfrac{1}{1 + \left( \dfrac{ D(\mathbf{r}) }{ D_0(\mathbf{r}) } \right)^2}
$$

In the $$\texttt{VASP}$$ source code, $$D(r) = T + T_{corr.} - T_{bos.}$$ could be found, i.e. the same thing.
In the $$\texttt{VASP}$$ source code, $$D = T + T_{corr.} - T_{bos.}$$ could be found, which is the same thing.

The numerator in the localization index now looks a bit different here, and the first guess should be that this of course looks like this because the normal expression has been broken down into direct, cross and divergence terms - and one would be correct!

I still find it a tiny bit cathartic to show this explicitly (doing my part against the entropy of the universe).
I still find it a tiny bit cathartic to show this explicitly (doing my part against entropy).

#### **Reconciling the Expressions**

Expand Down

0 comments on commit e10a719

Please sign in to comment.