Showkat Mir

4 Questions 3 Answers 0 Followers

Questions related from Showkat Mir

Where to find basis set functions in vasp?

Hi vasp users I have vasp installed on my workstation. I want to use the PAW psedo potentials from vasp in CP2K software for that the basis set functions as it is required to mention basis set...

08 August 2016 9,106 0 View

How to calculate the band edge positions of a semiconductor using DFT?

WS2 is a semiconductor with band gap more than 2eV. I have calculated the band structure of this system in which the VBM (valence band maximum) is set at 0 eV and CBM (conduction band minimum)...

08 August 2016 6,209 3 View

How to get absorption coefficient in vasp?

I have vasprun.xml file and obtained using LOPTICS = true and LOPTICS = true. I want to plot the absorption coefficient and PDOS. Do any body know how to plot the absorption coefficient. If some...

02 February 2016 8,585 1 View

What is the significance of static dielectric constant?

what is the difference between static and high frequency dielectric constant. What role these constants play in the electronic devices?

01 January 2016 5,468 6 View