Dr K Ganga Prasad

5 Questions 5 Answers 0 Followers

Questions related from Dr K Ganga Prasad

How do I find the elastic constants using PWscf (Quantum Espresso)?

The procedure of calculation. Total energy vs strain The strain exist in the material, 1.The strain by stretch. 2.The strain by shear. 3.The strain by pressure. We have to vary the parameters...

29 December 2015 8,982 23 View

How to study the Dielectric and Ferroelectric properties using PwScf calculations?

I am good at DOS, Band structure and phonon studies. I would like to extend my studies to Dielectric and Ferroelectric studies. How to find the polarization in the material?

16 August 2014 3,201 4 View

How can I find the k-points for band structure calculation?

I would like to find the k-points for Monoclinic system. The path follows the trend like this G-Y-M-C-E-M1-A-X-G-Z-D......etc. In band structure calculations I have to give k points in this...

13 March 2014 7,200 25 View

How can one explain the vibrational modes in Raman or IR spectroscopy?

What is the meaning of the symbols of A1g,B1g,A1u,B2u,A1u,B2u....etc in specific point group like D4h? What does the indication of 1,u and g in the subscript?

01 December 2013 5,263 3 View

How to determine the space group of the crystal structure?

There are 232 space groups and 32 point groups. My crystal structure is orthorhombic with pbcn space group. Would you suggest any book or website to determine the space group of crystal structure...

17 October 2013 5,968 7 View