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Schemes such as Dynamical Mean-Field Theory (DMFT) or Density Matrix Embedding Theory (DMET), to name just two ideas from a larger family, allow one study the properties of a much larger system by sim…
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I would like to perform fully charge self-consistent DFT+DMFT calculations with spin-orbit coupling (SOC) using TRIQS. Does the current version of DFTTools in TRIQS support this feature? If not, I am …
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Hello,
I am looking for an impurity solver which can compute the free energy.
If there is such a solver, I will make it possible that DCore calls that solver.
Best regards,
Mitsuaki Kawamura
…
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Dear TRIQS developpers,
I recently posted about an issue I had about the auto-correlation time and you suggested the tutorial on the unstable branch about how to chose the parameters for the DMFT …
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Dear TRIQS developpers,
I am trying to use CT-HYB (version 3.1) to do DMFT calculation on Ba2IrO4 including spin-orbit coupling.
Due to the sign problem (~0.6), the statistics on G(tau) is not…
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Comparing a simple Python script that uses nested objects with copies of triqs mesh objects seem to have a memory issue in the Python layer (probably not a memory leak) of TRIQS 3.3.x / unstable compa…
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occurs on datasets:
- openml__Amazon_employee_access__34539
- openml__PhishingWebsites__14952
- openml__analcatdata_dmft__3560
- openml__breast-cancer__145799
- openml__car__146821
- openml__con…
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Dear All,
Description of the partial DOSs are given as follows:
DOScorr(sp)_proj(i)_(m)_(n).dat: Sames as above, but printed as orbitally resolved matrix in indices (m) and (n). For d orbitals, it gi…
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### Summary
Including triangular vertex support and respective corrections for the finite frequency box seems desirable.
### Motivation
These vertices are in fact closely related to 4-point v…
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Dear all,
I am experiencing convergence problem for 4f system with spin-orbit coupling within Hubbard I approximation. I am observing a periodic pattern in quantities (to which I am checking converge…