Sanjay Sharma

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Questions related from Sanjay Sharma

Can anyone help me out with the first principle calculations of rare-earth based intermetallics?

It is easy to perform calculations for compounds with known structures. But if we need to substitute other atoms reducing the content of one atom, it becomes hard for me to relax that structure....

12 March 2021 7,308 2 View

What should be the Bragg R-factor value to stop at while performing the Rietveld Refinement?

How does the Bragg-R factor value effects the chi-square value?

23 September 2020 6,005 4 View