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Questions related from Chandra Bhanu Basak
Recently, it has been seen in many article, dealing with ab-initio calculation, that energy of formation for a compound AxBy is expressed as below - DelE (in eV) = E(AxBy) - xE(A) - yE(B) Where,...
01 January 1970 1,337 2 View
HCP has two parameters to optimize namely a and c/a; the process detailed here gives pretty accurate result to determine those parameters. Zr is taken as an example here, where positions are...
01 January 1970 1,867 2 View
HCP has two parameters to optimize namely a and a/c; the process detailed here gives pretty accurate result to determine those parameters. Zr is taken as an example here, where positions are...
01 January 1970 1,054 2 View
