Sangay Wangdi

5 Questions 7 Answers 0 Followers

Questions related from Sangay Wangdi

What is the code to plot PDOS using gnuplot?

Dear highly esteemed scholars, I have run projwfc.x and obtained obtained around six files for s, p, d orbitals. I am quite new to such calcuation and yet i am keenly interested to do it. How...

22 February 2022 5,843 5 View

How the electronic structure (band structure) affects the thermo-electric properties of a material?

How the electronic structure (band structure) affects the thermo-electric properties of a material? or effect of band structure on thermoelectric properties of material?

21 February 2022 9,498 1 View

How to know which occupation (smearing/fixed/tetrahedra, etc to be used in dft calculation?

Dear esteemed Researchers and scholars I am working on a project on thermo-electric properties of SnSb. which occupation should i use for scf, nscf, dos, bands calculations? Suppose if smearing is...

16 February 2022 7,602 2 View

I assigned to calculate and plot band structure of Si. I am new to computational part. Can someone kindly give me step by step tutorial on it?

Would like to get the band structure of Si plotted with complete labels as shown in figure as an example

31 January 2022 6,023 3 View

When i plotted the Seebeck coefficient with temperature for Si, Ge and ZnS the curves show little convex. Can anyone help me to explain the Physics ?

When i plotted the Seebeck coefficient with temperature for Si, Ge and ZnS the curves show little convex. Can anyone help me to explain the Physics behind this?

28 January 2022 4,431 4 View