Questions tagged [charge-density]
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3
questions
10
votes
0answers
112 views
What can we learn by inspecting charge densities calculated with DFT?
The charge density is an important physical quantity obtained from first-principles calculations based on density functional theory (DFT). Much useful information about the investigated materials can ...
11
votes
2answers
190 views
Effect of ISYM tag on Partial Density of States (VASP version < 6)
This is from the entry for LORBIT in the VASP Wiki.
For LORBIT >= 11 and ...
6
votes
1answer
59 views
Charge density wave and band inversion
Is there any connection between charge density wave and band inversion? Or is there any system in which band inversion follows the same mechanism as the CDW? I am just trying to find a connection ...
