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[doc] fix typo in doi id of DC function
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@ -34,25 +34,25 @@ def compute_DC_from_density(N_tot, U, J, N_spin=None, n_orbitals=5, method='sF
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Parameters
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Parameters
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----------
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----------
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N_tot : float
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N_tot : float
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Total density of the impurity
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Total density of the impurity
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N_spin : float , default = None
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N_spin : float , default = None
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Spin density, defaults to N_tot*0.5 if not specified
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Spin density, defaults to N_tot*0.5 if not specified
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U : float
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U : float
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U value
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U value
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J : float
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J : float
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J value
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J value
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n_orbitals : int, default = 5
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n_orbitals : int, default = 5
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Total number of orbitals
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Total number of orbitals
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method : string, default = 'cFLL'
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method : string, default = 'cFLL'
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possibilities:
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possibilities:
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- cFLL: DC potential from Ryee for spin unpolarized DFT: (DOI: 10.1038/s41598-018-27731-4)
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- cFLL: DC potential from Ryee for spin unpolarized DFT: (DOI: 10.1038/s41598-018-27731-4)
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- sFLL: same as above for spin polarized DFT
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- sFLL: same as above for spin polarized DFT
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- cAMF: around mean field
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- cAMF: around mean field
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- sAMF: spin polarized around mean field
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- sAMF: spin polarized around mean field
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- cHeld: unpolarized Held's formula as reported in (DOI: 10.1103/PhysRevResearch.2.03308)
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- cHeld: unpolarized Held's formula as reported in (DOI: 10.1103/PhysRevResearch.2.033088)
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- sHeld: NOT IMPLEMENTED
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- sHeld: NOT IMPLEMENTED
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Returns
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Returns
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-------
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-------
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List of floats:
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List of floats:
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@ -60,7 +60,7 @@ def compute_DC_from_density(N_tot, U, J, N_spin=None, n_orbitals=5, method='sF
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- E_val: double counting energy
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- E_val: double counting energy
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todo:
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todo:
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- See whether to move this to TRIQS directly instead of dft_tools
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- See whether to move this to TRIQS directly instead of dft_tools
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- allow as input full density matrix to allow orbital dependent DC
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- allow as input full density matrix to allow orbital dependent DC
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"""
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"""
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