Tanmoy Kalita

2 Questions 1 Answers 0 Followers

Questions related from Tanmoy Kalita

How to calculate the absorption spectrum with the help of the real and imaginary parts of dielectric function using quantum espresso?

After calculating the dielectric function(ε) executing the commands: 1- pw.x < espresso.scf.in > espresso.scf.out 2- epsilon.x < espresso.eps.in > espresso.eps.out using quantum...

15 September 2021 3,928 1 View

Reason for "reading bands namelist" error in band structure calculation in quantum espresso?

While doing the band structure calculation using command bands.x -in espresso.band.in espresso.band.out the following error occurs: task # 7 from bands : error # 1...

21 August 2021 5,800 2 View