Kotagiri Gangaprasad

13 Questions 15 Answers 0 Followers

Questions related from Kotagiri Gangaprasad

What type of analysis we can do to except band gap measurement using UV-visible spectroscopy?

I would like to do first principle studies(using DFT) for this technique to compare experimental and theoretical value. Thank you.

10 October 2014 1,769 3 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?

08 August 2014 9,992 5 View

Does any one have Video lecture on Rietveld Refinement using Fullproof Software?

I keen to learn Rietveld Refinement using Fullproof. If you have any type of information share with me. Thank you.

08 August 2014 5,238 0 View

Which software is better for refinement either Fullproof or Maud?

I would like to do refinement. Could you suggest me which one is better? Thank you.

07 July 2014 7,715 5 View

What is the good software for nonlinear curve fitting rather than Excel and Origin?

05 May 2014 9,151 10 View

Does anyone know about DFT summer schools?

I want to attend DFT summer schools. If anyone knows please let me know the details. Is there any website for DFT related schools?

03 March 2014 9,946 0 View

How can we determine if a material is an Insulator or a Semiconductor?

My material band gap is 2.86 eV. I am confused as to how to confirm whether it is a Insulator or Semiconductor. In literature it has not been made clear.

02 February 2014 9,981 10 View

Can any one help with dielectric relaxation and conductivity studies?

I am new to this area. I would like to study these concepts from beginning onwards.

12 December 2013 3,554 9 View

Vibrational frequencies - can anyone help?

How to find the vibrational frequencies using Pwscf? I have taken Experimental Raman spectrum. I have to assign the modes (A1g, B1u,B2g and A2g etc) for each peak in spectrum. Example given below.

11 November 2013 5,999 25 View

I would like to know the ferroelectric perovskites names and their spontaneous polarization?

I would like to know the ferroelectric perovskites names and their spontaneous polarization.Could you suggest me any book or website?

11 November 2013 1,519 7 View

What software to use for Raman and IR theoretical modes?

Is there any free software to find Raman theoretical modes? I know Gaussian 3 package but it is a licensed version.

11 November 2013 520 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...

10 October 2013 8,441 8 View

For crystal structure refinement, which software is more reliable: Full Prof, Topas or GSAS, and why?

07 July 2013 4,581 6 View