wavecar_rs
A crate to manipulate wavefunction from VASP WAVECAR.
Example
use *;
use ChgType;
use Poscar;
Features
- Get the meta information of WAVECAR;
- Transform wavefunction from k-spake into real-space;
- Save the wavefunction as CHGCAR format to visualize the spatial distribution;
- Apply phase on the wavefunction to get full bloch waves;
Acknowledgement
- Qijing Zheng;
- ExpHP;
- Other guys from the group.