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https://github.com/triqs/dft_tools
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16 lines
505 B
Python
16 lines
505 B
Python
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from triqs_dft_tools.converters.wien2k_converter import Wien2kConverter
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from triqs_dft_tools import SumkDFTTools
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filename = 'Sr2RuO4'
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conv = Wien2kConverter(filename = filename,hdf_filename=filename+'.h5')
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conv.convert_dft_input()
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SK = SumkDFTTools(filename+'.h5')
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mesh = (-10.0,10.0,500)
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SK.dos_wannier_basis(broadening=(mesh[1]-mesh[0])/float(mesh[2]),
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mesh=mesh,
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save_to_file=True,
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with_Sigma=False,
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with_dc=False)
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