Surender Kumar

3 Questions 17 Answers 0 Followers

Questions related from Surender Kumar

I am new to DFT and presently using Gaussian 09. I need help for : Atoms outside the crystal and the error message # 2070?

I am using cif file for running DFT. The cif for spinel ferrites was obtained from Rietveld refinement of X-ray diffraction pattern. I am new could anyone help me understand what's wrong. (1) I...

30 December 2014 4,685 7 View

Covalent bonds in ionic solids (spinel ferrites)?

How far is the presence of covalent bonds likely to influence electrical and magnetic properties of spinel ferrites? Is there any method to obtain quantitative assessment of the percentage of...

17 October 2013 9,741 1 View

Can someone recommend research that addresses both, the materials which exist in micro-scale as well as nano-scale?

For example, spinel ferrites are studied at microscale as well as nanoscale. However it is almost impossible to find research work that is a mix of nano as well as micro scale materials. Is anyone...

28 August 2013 856 3 View