mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 21:03:45 +01:00
a1209f8a53
* adapted all occurences of the converter script file names including the doc files * fixed one failing test: Py_basis_transformation.py
16 lines
495 B
Python
16 lines
495 B
Python
from triqs_dft_tools.converters.wien2k 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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