/p1VASPband

Plot band structures from VASP band calculation with matplotlib

Primary LanguagePython

p1VASPband

Introduction

p1VASPband is a simple module plotting band structures of one-dimensional (1D) system from VASP band calculation. It is written in python with numpy and matplotlib. Python 2.7 or later is required.

Usage

Simply run

$ python p1VASPband.py -h

for help information. Use -d to speicify the working directory, where the VASP output files OUTCAR and EIGENVAL reside.

By default, it will write a band.dat with the band structure flavored eigenvalues and is ready plotting with gnuplot.

Figure file defaults in pdf format is saved if everything goes well.