Matter Modeling
Gregor Michalicek
  • Member for 1 year, 4 months
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All Questions Answers
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17
Linearized Augmented Plane Wave Method vs. Pseudopotential Methods
May 26 '21
13
What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?
Oct 19 '20
11
Increasing k-point grid to take DOS calculation
May 25 '21
8
Ion-ion interaction potential in Kohn-Sham DFT
Dec 30 '20
6
Physical/Intuitive picture for DFT that all motions and pair correlations in a many-electron system are contained in the total electron density alone
Sep 20 '20
5
What are some open-source all-electron DFT alternatives to Wien2K?
Nov 11 '21
5
What is the electrical behavior of the material with this band gap?
May 29 '21
4
What is the source of this band structure and DOS inconsistency?
Aug 23 '21
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24
How can I determine the rpm of a wheel that's spinning really fast?
18
Why Density Functional Theory (DFT) underestimate bandgaps?
6
What do we physically mean by smearing in condensed matter?

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