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Let start with p4vasp p4vasp is postprocessing tool for VASP output written in python and some C++. It is very easy to install and you can check in its official website http://www.p4vasp.at/#/home For ploting band structure or DOS , this package need vasprun.xml as input which is output of VASP. Once we load input, it will automatically show DOS or you can ...


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I will share here the script I use to plot bands/DOS/PDOS from SIESTA output. After working with thee raw output from SIESTA, if a spin polarized calculation was done, we have two files (one for each spin) for the bands in the form: (the file consist in three columns with k energy spin) # GNUBANDS: Utility for SIESTA to transform bands output into Gnuplot ...


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