Matter Modeling Beta
Gregor Michalicek
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17 Linearized Augmented Plane Wave Method vs. Pseudopotential Methods May 26
13 What's the difference between spin-unpolarized, spin-polarized and non-colinear calculation? Oct 19 '20
10 Increasing k-point grid to take DOS calculation May 25
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 is the electrical behavior of the material with this band gap? May 29
4 What is the source of this band structure and DOS inconsistency? Aug 23

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