Atchaya Sundararajan

4 Questions 27 Answers 0 Followers

Questions related from Atchaya Sundararajan

Can anyone help me to install quantum espresso and run a programme in it?

I have a CIF file and need to plot the band structure. please help me. I have installed Quantum Espresso and pwgui. I can't able to install cif2cell. I don't know what parameters to add. kindly...

05 September 2023 4,746 3 View

In XRD analysis having 2 different FWHM, original data FWHM value and after refinement having different FWHM, which I can take for crystallaitesize?

In XRD analysis I am having 2 different FWHMs, one is the original data FWHM value(0.096), and after refinement, I am having different FWHMs(0.38), which I can take for crystallite size...

01 June 2023 8,404 4 View

Is It possible to find the value of effective mass of hoe or effective mass of electron of p-type metal oxide using VESTA?

I would like to find effective mass of hole and electron of a p-type metal oxide using vesta software? I have gone through papers. for metal oxides Mo is 0.4-0.9 but some meta oxides authors have...

15 February 2023 7,810 2 View

In VESTA crystal visualization software how can we classify the system? What is the meaning for same atom having two colors? what is it represents?

I refined my XRD data and exported the PCR file to visualize it, with minimum refinement I am getting structure as ordinary crystal files ( almost matches with original cod data. But when I...

03 May 2021 9,202 5 View