mirror of
https://github.com/triqs/dft_tools
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53 lines
2.1 KiB
Python
53 lines
2.1 KiB
Python
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################################################################################
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#
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# TRIQS: a Toolbox for Research in Interacting Quantum Systems
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#
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# Copyright (C) 2011 by M. Ferrero, O. Parcollet
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#
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# TRIQS is free software: you can redistribute it and/or modify it under the
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# terms of the GNU General Public License as published by the Free Software
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# Foundation, either version 3 of the License, or (at your option) any later
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# version.
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#
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# TRIQS is distributed in the hope that it will be useful, but WITHOUT ANY
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# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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# FOR A PARTICULAR PURPOSE. See the GNU General Public License for more
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# details.
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#
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# You should have received a copy of the GNU General Public License along with
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# TRIQS. If not, see <http://www.gnu.org/licenses/>.
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#
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################################################################################
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#from pytriqs import *
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import numpy
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from pytriqs.dos import DOS
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from pytriqs.lattice.tight_binding import dos_patch
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class BZPatch:
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"""Description of a Patch of the BZ"""
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def __init__(self, name, polygons):
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""" TO BE WRITTEN: MICHEL! """
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# Cut the patch in triangles (this is what is asked by the C-code)
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self.weight, self.name = 0, name
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self._triangles = []
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self._weights = []
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for polygon in polygons:
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pnt = [0, 0, 0]
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for np, point in enumerate(polygon):
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if np > 1:
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pnt[2] = point
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self._triangles += pnt
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self._weights += [ 0.5*abs((pnt[1][0]-pnt[0][0])*(pnt[2][1]-pnt[0][1])
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-(pnt[1][1]-pnt[0][1])*(pnt[2][0]-pnt[0][0])) ]
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self.weight += 0.5*abs((pnt[1][0]-pnt[0][0])*(pnt[2][1]-pnt[0][1])
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-(pnt[1][1]-pnt[0][1])*(pnt[2][0]-pnt[0][0]))
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pnt[1] = pnt[2]
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else:
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pnt[np%3] = point
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def dos(self, TB, n_eps, n_div):
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""" Compute the partial dos of the Patch for the Lattice lattice"""
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return dos_patch(TB, numpy.array(self._triangles), n_eps, n_div, self.name)
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