Radha Somaiya

4 Questions 8 Answers 0 Followers

Questions related from Radha Somaiya

How to calculate elastic constants of a two-dimensional hexagonal crystal system?

Hello all, I am eager to learn how to find elastic constants of a hexagonal crystal system like graphene. Need help with this. Thanks in advance.

03 March 2020 2,251 3 View

I get an "Error in routine smallgk (1); Not a group " while running the band.x input file. May anyone give me the information regarding this error?

I am getting the following error while running bands.x in quantum espresso %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% task # 3 from smallgk :...

01 January 2019 1,363 2 View

Why the band lines in the band structure gets shifted downwards??

why the band lines in the band structure gets shifted?? what i mean is the band structure published in the paper and what i got are the same just sifted downwards by approx. 1.5eV. why we get...

10 October 2018 579 2 View

Following Error occured with boltztrap . I am using quantum espresso. What could be the reason?

================ BoltzTraP vs 1.2.5 ============= 6 XXXXXXXX 1 0 0 1 0 1 0 0 0 1 1 0 0...

10 October 2018 1,389 0 View