Geetimallika Das

6 Questions 5 Answers 0 Followers

Questions related from Geetimallika Das

How to calculate effective mass for anisotropic case?

How can we calculate the effective mass along any direction like along x-axis, y-axis, Zaxis ? I have gone through the video https://youtu.be/QeM-YKEn74g?si=yoj6MYN0nGdqlvOB , where they have...

16 October 2023 7,409 0 View

How to calculate fermisurface for spin polarized system?

Are there any extra keywords required to generate fermi surface for spin polarized systems?

06 October 2023 9,412 0 View

How to visualize fermi surface using xcrysden?

I have calculated fermi surface using fs.x executable implemented in Quantum espresso, which generate bxsf file. To view, I have used the command xcrysden --bxsf file.bxsf. After that two windows...

05 October 2023 1,151 7 View

How can we find out the directions (X,Y,Z) for calculation of effective mass at a particular VBM K point as well as the degeneracy?

In a degenerate system, for calculating the DOS effective mass, how can we find the degeneracy and also how can we determine the three directions (one longitudinal and one transverse) at the VBM....

28 September 2023 3,003 0 View

How can we find out the directions (X,Y,Z) for calculation of effective mass at a particular VBM K point as well as the degeneracy

In a degenerate system, for calculating the DOS effective mass, how can we find the degeneracy and also how can we determine the three directions (one longitudinal and one transverse) at the...

01 January 1970 7,267 2 View

Calculation of thermoelectric properties using Boltztrap in 2D materials

Is the way for calculating thermoelectric properties using BOLTZTRAP same for both bulk as well as 2D materials? Do we need to add any extra parameters in the scf and nscf calculation for 2D...

01 January 1970 2,128 0 View