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[feat] allow 0.0 mixing to perform stat sampling
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the-hampel committed Nov 6, 2023
1 parent 6d5a823 commit 6f4efe1
Showing 1 changed file with 5 additions and 3 deletions.
8 changes: 5 additions & 3 deletions python/solid_dmft/read_config.py
Original file line number Diff line number Diff line change
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careful: Sigma mixing can break orbital symmetries, use G0 mixing
mixing sigma with previous iteration sigma for better convergency. 1.0 means no mixing
g0_mix : float, optional, default=1.0
mixing the weiss field G0 with previous iteration G0 for better convergency. 1.0 means no mixing
Mixing the weiss field G0 with previous iteration G0 for better convergency. 1.0 means no mixing.
Setting g0_mix to 0.0 with linear mixing can be used for statistic sampling when
restarting a calculation
g0_mix_type : string, optional, default='linear'
which type of mixing is used. Possible values are:
linear: linear mixing
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'default': False},

'sigma_mix': {'converter': float,
'valid for': lambda x, params: x > 0 and (np.isclose(params['general']['g0_mix'], 1)
'valid for': lambda x, params: x >= 0 and (np.isclose(params['general']['g0_mix'], 1)
or np.isclose(x, 1)),
'used': True, 'default': 1.0},

'g0_mix': {'converter': float, 'valid for': lambda x, _: x > 0,
'g0_mix': {'converter': float, 'valid for': lambda x, _: x >= 0,
'used': True, 'default': 1.0},

'g0_mix_type': {'valid for': lambda x, _: x in ('linear', 'broyden'),
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