How to set CIX parameters

[Yue Gu]

Dear developers: 

The CIX parameters in INPUT.py has no comments. And  I cannot find information about it in the DMFTwDFT_tutorial.pdf. How should I set these CIX parameters?

  ############## CIX parameters ###########
pD = {
    "para=": 1,
    "l=": 2,
    "n=": [6, 7, 8],
    "OCA_G=": False,
    "CoulombF=": "Ising",
}

In addition, do the default values of ctqmc parameters need to be changed?

Many thanks!

Sincerely,

Yue Gu

[Uthpala Herath]

Dear Yue, 

The CIX and CTQMC parameters are coming from the CTQMC code from EDMFT. 

You can find more details here:

http://hauleweb.rutgers.edu/tutorials/Tutorial0.html

The only parameter I usually change in CTQMC is beta (inverse temperature).

Best,

Uthpala

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Uthpala Herath

PhD Candidate

Department of Physics and Astronomy

West Virginia University

Morgantown, WV 26505

Tel. (304) 216-2535

Email: ukh...@mix.wvu.edu

Website: https://uthpalaherath.github.io/