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[doc] fix typo in doi id of DC function
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the-hampel committed Apr 9, 2024
1 parent 13dd62d commit 5aba027
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions python/triqs_dft_tools/util.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,33 +34,33 @@ def compute_DC_from_density(N_tot, U, J, N_spin=None, n_orbitals=5, method='sF
Parameters
----------
N_tot : float
N_tot : float
Total density of the impurity
N_spin : float , default = None
Spin density, defaults to N_tot*0.5 if not specified
U : float
U : float
U value
J : float
J : float
J value
n_orbitals : int, default = 5
Total number of orbitals
method : string, default = 'cFLL'
method : string, default = 'cFLL'
possibilities:
- cFLL: DC potential from Ryee for spin unpolarized DFT: (DOI: 10.1038/s41598-018-27731-4)
- sFLL: same as above for spin polarized DFT
- cAMF: around mean field
- sAMF: spin polarized around mean field
- cHeld: unpolarized Held's formula as reported in (DOI: 10.1103/PhysRevResearch.2.03308)
- cHeld: unpolarized Held's formula as reported in (DOI: 10.1103/PhysRevResearch.2.033088)
- sHeld: NOT IMPLEMENTED
Returns
-------
List of floats:
- DC_val: double counting potential
- E_val: double counting energy
todo:
todo:
- See whether to move this to TRIQS directly instead of dft_tools
- allow as input full density matrix to allow orbital dependent DC
"""
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