A Which one of the GGA or G0W0 calculations is more accurate?

  • A
  • Thread starter Thread starter Mohammad-gl
  • Start date Start date
  • Tags Tags
    Calculations
Mohammad-gl
Messages
29
Reaction score
4
TL;DR Summary
I want to compare my tight binding results with DFT calculation. Which one GGA or G0W0 is more trustable to compare?
I want to compare my tight binding results with DFT calculation. Which one GGA or G0W0 is more trustable to compare?
 
Physics news on Phys.org
It really depends on what you’re interested in. If you’re looking for something like equilibrium geometry, GGA would probably be better. If you’re after accurate bandgaps, GW is probably better.
 
Reply
  • Like
Likes Mohammad-gl
TeethWhitener said:
It really depends on what you’re interested in. If you’re looking for something like equilibrium geometry, GGA would probably be better. If you’re after accurate bandgaps, GW is probably better.
Thank you
 

Thread 'Stability of persistent currents in superconductors regardless of temperature'

From the BCS theory of superconductivity is well known that the superfluid density smoothly decreases with increasing temperature. Annihilated superfluid carriers become normal and lose their momenta on lattice atoms. So if we induce a persistent supercurrent in a ring below Tc and after that slowly increase the temperature, we must observe a decrease in the actual supercurrent, because the density of electron pairs and total supercurrent momentum decrease. However, this supercurrent...
View full post »

Similar threads

A Can I calculate partial density of states using tight binding?
Replies
0
Views
1K
A How to practically perform first-principles calculations on Li-ion batteries?
Replies
0
Views
2K
A Bulk and Slab electronic structure differences
Replies
6
Views
3K
I 2 basis sets, for which one is DFT calc faster?
Replies
2
Views
2K
A DFT calculations for metal oxide semiconductors and graphene oxide
Replies
3
Views
2K
A Green's function calculation of an infinite lattice with periodicity in 1D
Replies
1
Views
2K
A DFT Code for Finite-Temperature Calculations
Replies
1
Views
3K
Implementing “Ab initio” approach in molecular mechanics method
Replies
4
Views
2K
I How can I compute edge states in the Haldane model with varying dimensions?
Replies
4
Views
3K
Least Empirical DFT Calculations for Diatomic Dissociations
Replies
9
Views
3K

Hot Threads

Recent Insights

Back
Top