PoVaB Projected orbitals on Vasp Bandstructure Utility for extracting the projected bandstructure (character plot) from Vienna Ab Initio Software Package [1] output (vasprun.xml) [1] G. Kresse and J. Furthmüller,Phys. Rev. B 54, 11169 (1996); Comput. Mater. Sci. 6, 15 (1996) Program analysies the vasprun.xml file for calculations with LORBIT tag . Requirements For Python 3.7.2 and up: numpy >= 1.16.2 matplotlib >= 3.0.2 defusedxml >= 0.5.0 argparse >= 1.1 The above may be installed using pip: sudo pip3 install -r requirements.txt For tagging the High symmetry points on the plots we require a separate LaTeX installation. Installation git clone https://github.com/Mellechowicz/PoVaB.git cd PoVaB sudo python3 setup.py install Options usage: PoVaB [-h] [--efermi EFERMI] [--outfile OUTFILE] [--vasprun VASPRUN] [--orbitals {s,p,d,f,sp,spd,spdf,pd,pdf,df}] [--range RANGE] [--ions IONS] [--labels LABELS [LABELS ...]] [--dpi DPI] Plotting the projected bands optional arguments: -h, --help show this help message and exit --efermi EFERMI, -E EFERMI Fermi energy in eV (default: 0.0 eV) --outfile OUTFILE, -o OUTFILE Name of the plotted figure (default: 'fig.png' --vasprun VASPRUN, -v VASPRUN Name of the vasprun xml file (default='./vasprun.xml') --orbitals {s,p,d,f,sp,spd,spdf,pd,pdf,df}, -l {s,p,d,f,sp,spd,spdf,pd,pdf,df} Type of orbitals (e.g. 'df' for d and f electrons only; default='spd' --range RANGE, -r RANGE Plot energy range from [Ef-r[0], Ef-r[1]] (default: -1.5,0.25 <=> -1.5 eV - 0.25 eV) --ions IONS, -i IONS Coma separated id's of ions taken into account (enumerating from 0; default 0) --labels LABELS [LABELS ...] Labels for each of high symmetry points. (e.g., '$\Gamma$'; default None) --dpi DPI Figure dpi (default: 200)