Bharat Thapa

4 Questions 8 Answers 0 Followers

Questions related from Bharat Thapa

X- axis unit of band structure from Quantum espresso?

If you have done some post-processing of the electronic or phonon band structure you get from Quantum Espresso then hopefully you can correctly understand and answer my question: For both...

06 January 2021 1,573 3 View

How do I get positions of atoms in a crystal if I only know Hermann Mauguin or space group of the crystal?

I can see a lot of information for one specific space group on the 'international table of crystallography'. Say I know the space group of a crystal from XRD analysis, and I want to calculate...

13 February 2019 6,444 7 View

Tauc-plot for metal?

We can estimate both the direct and indirect bandgap of a semiconductor from Tauc plot method. Can we use it (definitely after extracting absorption coefficient from reflection and transmission...

01 January 1970 4,276 4 View

Confusion with 'alat' and 'A' in the Quantum Espresso codes

In quantum espresso, 'alat' as written in the documentation is the 'lattice constant' of the system. So, far this is true for cubic system and it won't affect either we input celldm(1) or A, B, C...

01 January 1970 8,845 1 View