[BSF]: Bloch spectral function

Parameters of the Bloch spectral function calculation.

Parameter	Type	Default	Description
e_range	<energy>	[-1.0, 1.0]	Energy range: e_min e_max
n_points	<integer>	401	Number of mesh points
im_delta	<energy>	0.03 Ry	Small imaginary part
kset_params	<block>	NONE	Parameters of the k-set
kpoints	<string>	NONE	Type of coordinates: frac or cart
	<array>	NONE	Array of 3-vectors
sections	<string>	NONE	Type of coordinates: frac or cart
	<sec def>	NONE	Definition of cross-sections for Fermi-surface calculations

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Block of kset_params defines the type of k-point set and default size parameters:

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type	<string>	NONE	Type of the k-point set: segments, sections, ibz, fbz, free
segment_len	<integer>	30	Length of a line segment when type is segments
section_size	<integer vector(2)>	[30, 30]	Size of a section when type is sections

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If type is either segments or free the k-points will be read off the array in defined by the kpoints block.

if type is sections the parameters of cross section will be taken from the sections block defined as a set of lines starting with a label and followed by a set of parameters

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label

<Cross-section parameters>

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The label is given only for convenience as an annotation and must contain no white spaces.

Each cross-section represents a parallelogram in k-space, defined by a vertex point called origin and two non-collinear vectors, k1 and k2, defining the edges. The number of points along each edge is either given by parameter section_size in the kset_params section or by an optional parameter size specified for each section separately.

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origin	<vector(3)>	[0.0, 0.0, 0.0]	Origin (vertex) point
k1	<vector(3)>	NONE	Edge vector k1
k2	<vector(3)>	NONE	Edge vector k2
size	<integer vector(2)>	NONE	Number of points in the directions of k1, k2, respectively

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Notes:

• square brackets for array values, [val1, val2, …], are used in the documentation for clarity and should not be used in the input file