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Fix SO/SP in reading pmat and oubwin files
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@ -519,11 +519,11 @@ class Wien2kConverter(ConverterTools):
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# band_window: Contains the index of the lowest and highest band within the
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# band_window: Contains the index of the lowest and highest band within the
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# projected subspace (used by dmftproj) for each k-point.
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# projected subspace (used by dmftproj) for each k-point.
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if (SP == SO): # if SP and SO are both 1 or both 0
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if (SP == 0 and SO == 0): # if SP and SO are both 0
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files = [self.bandwin_file]
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files = [self.bandwin_file]
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elif (SP == 1 and SO == 0): # SP but no SO
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elif (SP == 1): # SP = 1
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files = [self.bandwin_file + 'up', self.bandwin_file + 'dn']
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files = [self.bandwin_file + 'up', self.bandwin_file + 'dn']
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else: # SP=0 and SO=1
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else:
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assert 0, "convert_misc_input: Reading oubwin error! Check SP and SO, if SO=1 SP must be 1."
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assert 0, "convert_misc_input: Reading oubwin error! Check SP and SO, if SO=1 SP must be 1."
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band_window = [None for isp in range(SP + 1 - SO)]
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band_window = [None for isp in range(SP + 1 - SO)]
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@ -640,11 +640,11 @@ class Wien2kConverter(ConverterTools):
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# velocities_k: velocity (momentum) matrix elements between all bands in band_window_optics
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# velocities_k: velocity (momentum) matrix elements between all bands in band_window_optics
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# and each k-point.
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# and each k-point.
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if (SP == SO): # if SP and SO are both 1 or both 0
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if (SP == 0 and SO == 0): # if SP and SO are both 0
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files = [self.pmat_file]
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files = [self.pmat_file]
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elif (SP == 1 and SO == 0): # SP but no SO
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elif (SP == 1): # SP = 1
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files = [self.pmat_file + 'up', self.pmat_file + 'dn']
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files = [self.pmat_file + 'up', self.pmat_file + 'dn']
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else: # SP=0 and SO=1
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else:
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assert 0, "convert_transport_input: Reading velocity file error! Check SP and SO, if SO=1 SP must be 1."
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assert 0, "convert_transport_input: Reading velocity file error! Check SP and SO, if SO=1 SP must be 1."
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velocities_k = [[] for f in files]
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velocities_k = [[] for f in files]
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