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Hitanshu Sachania
  • Member for 2 years, 1 month
  • Last seen more than a month ago
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Materials modelling. Undergrad: Chemical engineering. Postgrad: Materials engineering.

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question
13
Can we refrain from using 'dft' as a tag for density functional theory?
Apr 29, 2020
question
5
Can we ask code specific questions?
Aug 19, 2020
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4
0 Question Days
Nov 30, 2020
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19
What do phonon dispersion (or lattice dynamics) studies include?
18
What do negative phonon frequencies signify?
17
On the nature of zero-point energy (ZPE)
16
k-points convergence for special quasirandom structures (SQS) of the same material containing different # of atoms
15
How big should a supercell be in phonon calculations?

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