ELFCAR

The ELFCAR file is created when the LELF=.TRUE. in the INCAR file is set and contains the electron localization function denoted by $ELF$ in Ref. .

The same file format is used as for the CHGCAR file. That is, lattice vectors, atomic coordinates and number of cartesian sampling points $N_x, N_y, N_z$ are written, followed by $ELF(x,y,z)$ with $x$ being the fastest and $z$ the slowest index.

For ISPIN==2, $ELF_{\uparrow}$ is written first followed by $ELF_{\downarrow}$.

It is recommended to avoid wrap around errors, when evaluating the ELFCAR file. This can be done by specifying PREC=High in the INCAR file.

References

---

Contents