Vijay Kumar

5 Questions 11 Answers 0 Followers

Questions related from Vijay Kumar

How I can add Occupancies of atoms in (as here Bi1-xCaxFe1-xTiO3 for x=0.2) Qunatum espresso input file?

Hi, I am new to quantum espresso and I am trying to do DFT (Band Structure and DOS calculations) using Quantum Espresso, Whenever I converted the cif file into quantum espresso input file the...

09 September 2017 4,528 8 View

What are the intensity control parameters in fullprof?

I am running the pattern and observing that the intensity is higher in accordance with Exp. Data So please tell me about the parameter that can control the change in intensity.

02 February 2016 5,874 0 View

What is the meaning of Warning Eclectic-view-ratio is TOO LOW (<4)? If there is no constraint could your intensity-affecting parameters be inaccurate?

During the refinement after varying some parameters warnings show in the SUM file of FULLPROF. What is meaning of this warning? Can you suggest what I should do?

02 February 2015 7,939 1 View

How can we find D2ST for the expression used in Rietveld refinement for finding particle size?

I know the formula in rietveld refinement for finding particle size but unable to know the D2ST

02 February 2015 4,782 1 View

How can we identify the phase structure by seeing the XRD Pattern of XRD Data?

For going towards the Rietveld refinement we need to make the best PCR file that should follow that phase. But if we are synthesizing the new composition that is not available in the literature...

01 January 2015 5,404 5 View