pomerol-ed / pomerol2triqs

Quick and dirty TRIQS wrapper around the Pomerol exact diagonalization library
GNU General Public License v3.0
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does the bath-parameters affect the results? #19

Closed abdelghany0 closed 1 year ago

abdelghany0 commented 1 year ago

Hi,

May I know on what basis the values of the bath parameters (epsilon and V) are chosen?

# Levels of the bath sites
epsilon = [-1.0, 1.0]
# Hopping amplitudes
V = [0.5, 0.5]

Are these parameters optimized during the calculations or not?

Another inequality please: Is there an available tutorial for using pomerol2triqs with DMFT calculations?

Best, Ragab.

krivenko commented 1 year ago

Hello,

Is there an available tutorial for using pomerol2triqs with DMFT calculations?

No, none I am aware of.

pomerol2triqs was written to provide reference data to test other, more versitile solvers (mainly QMC). Perhaps the only case where it was used to do an actual DMFT calculation is this work by Erik van Loon,

Erik G C P van Loon 2021 J. Phys.: Condens. Matter 33 135601 https://iopscience.iop.org/article/10.1088/1361-648X/abd9ed https://arxiv.org/abs/2011.08780.

May I know on what basis the values of the bath parameters (epsilon and V) are chosen?

epsilon = [-1.0, 1.0] V = [0.5, 0.5]

Are these parameters optimized during the calculations or not?

You would need to somehow optimize these parameters during a real DMFT calculation. I my example scripts, however, they are just some illustrative input data chosen mostly randomly.

abdelghany0 commented 1 year ago

I see, Thank you!

krivenko commented 1 year ago

Since your questions are answered, can I close this issue now?

abdelghany0 commented 1 year ago

Yes, please!