DensityTool v0.2 is a FORTRAN program, designed to compute the local density of states and local spin density of states from the output of the VASP package.
Created by Lucas Lodeiro and Tomáš Rauch.
If you use the code, please cite: L. Lodeiro and T. Rauch: DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP, Computer Physics Communications 277, 108384 (2022), https://doi.org/10.1016/j.cpc.2022.108384
DENSITYTOOL.F90 - program source code
DENSITYTOOL.IN - sample input
LICENSE - MIT License
Plot_LDOS.py and Plot_LSDOS.py - sample script for plotting the data generated with DensityTool
User_Manual.pdf - User Manual
Examples - folder with examples, including input and output data, explained in contained README file
The program can be compiled using a FORTRAN compiler, e.g.: ifort -O2 -o DENSITYTOOL.X DENSITYTOOL.F90 or gfortran -O3 -o DENSITYTOOL.X DENSITYTOOL.F90
The executable DENSITYTOOL.X has to be executed in a folder with the VASP output and the input file, DENSITYTOOL.IN, if used, as /PROGRAMFOLDER/DENSITYTOOL.X < DENSITYTOOL.IN > DENSITYTOOL.OUT In DENSITYTOOL.IN the parameters of the calculation can be specified. If DENSITYTOOL.IN is not used, the parameters for the calculation are asked by the program and can be entered manually.