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Matter Modeling
Hitanshu Sachania's user avatar
Hitanshu Sachania's user avatar
Hitanshu Sachania's user avatar
Hitanshu Sachania
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Materials modelling. Undergrad: Chemical engineering. Postgrad: Materials engineering.

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question
21
What do negative phonon frequencies signify?
Oct 29, 2020
question
20
What do phonon dispersion (or lattice dynamics) studies include?
May 3, 2020
question
18
On the nature of zero-point energy (ZPE)
Oct 31, 2020
answer
17
How big should a supercell be in phonon calculations?
Jul 8, 2020
question
16
k-points convergence for special quasirandom structures (SQS) of the same material containing different # of atoms
Apr 29, 2020
question
15
Determining Fermi energy in density functional theory
Oct 14, 2020
question
15
What does it mean to say a material is 'anharmonic'?
Nov 22, 2020
question
14
How to differentiate similar clusters in the mcsqs output in ATAT? [closed]
Oct 12, 2020
question
14
Suggestions for a good crystal structure visualization workflow
Oct 7, 2020
question
13
Can we do anything to reduce the number of displacements in a frozen phonon lattice dynamics study?
May 27, 2020
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Can we refrain from using 'dft' as a tag for density functional theory?
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Can we ask code specific questions?
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What do the commas in "${var,,}" mean?
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How to print an nth column in a file using awk?