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Hitanshu Sachania

Materials modelling. Undergrad: Chemical engineering. Postgrad: Materials engineering.

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17 What is included in phonon dispersion (or lattice dynamics) studies? May 3
14 k-points convergence for special quasirandom structures (SQS) of the same material containing different # of atoms Apr 29
13 How big should a supercell be in phonon calculations? Jul 8
12 Can ab initio crystal structure methods predict the structure of cuprates from their stoichiometry and quantify the brittleness of those materials? May 3
12 Correlation Functions in the Cluster Variation Method [closed] Jun 27
11 Can we do anything to reduce the number of displacements in a frozen phonon lattice dynamics study? May 27
7 Is it okay to take a cubic Monkhorst-Pack k-mesh for a non-cubic supercell in a DFT calculation? yesterday
6 How to calculate Special Quasirandom Structure with local ordering? Jul 8

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