How to make one plot of Band Structure and DOS using a script and SUMO tool

There are many ways to make one plot of band structure and DOS. We will choose 2 ways, one using a script and the the other using the sumo tool bot…

How to plot the Band Structure using Pymatgen interface and SUMO tool

To plot the Band Structure there are many ways. We will use 2 of them: 1- Using pymatgen interface 2- Using sumo tool, We need the input files POSC…

The basic calculations to investigate the ground state fcc lattice parameter for Al,

The necessary tools to perform the basic calculations to investigate the ground state fcc lattice parameter for Al, the cohesive energy and the b…

Vacancy Formation Energy Calculation

The necessary tools to perform the basic calculations to investigate the vacancy formation energy is shown in this page. Note: The page is under a c…

VASP: Dielectric response Perturbation theory, linear response, and finite electric fields

VASP Tutorial: Dielectric properties and the Random - Phase - Approximation (RPA)

Ionic contributions to the frequency dependent dielectric function of NaCl (from vasp site)

Task Calculation of the ionic contruibutions to the frequency dependent dielectric function of NaCl. Calculation To get the full (electronic &am…