Matter Modeling
Gregor Michalicek's user avatar
Gregor Michalicek's user avatar
Gregor Michalicek's user avatar
Gregor Michalicek
  • Member for 3 years, 3 months
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All Questions Answers
Score Newest
answer
20
Linearized Augmented Plane Wave Method vs. Pseudopotential Methods
May 26, 2021
answer
16
What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation?
Oct 19, 2020
answer
12
Increasing k-point grid to take DOS calculation
May 25, 2021
answer
10
What programming language do matter modelers generally use?
Jun 18
answer
8
What is the best way to compute the DFT total energy and atomic forces for given atomic positions?
Apr 28
answer
8
Ion-ion interaction potential in Kohn-Sham DFT
Dec 30, 2020
answer
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, 2020
answer
6
What is the electrical behavior of the material with this band gap?
May 29, 2021
answer
6
Understanding Illustration for Pseudopotential
May 8, 2022
answer
6
Which formalism is better suited to model a crystal with defects: Hartree–Fock, Kohn–Sham, or something else?
May 19, 2022
Top network posts
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25
Why Density Functional Theory (DFT) underestimate bandgaps?
24
How can I determine the rpm of a wheel that's spinning really fast?
8
What do we physically mean by smearing in condensed matter?

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