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dft_tools/doc/guide/Sr2RuO4/calculate_dos_wannier_basis.py

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from triqs_dft_tools.converters.wien2k import Wien2kConverter
2018-09-04 19:02:10 +02:00
from triqs_dft_tools import SumkDFTTools
filename = 'Sr2RuO4'
conv = Wien2kConverter(filename = filename,hdf_filename=filename+'.h5')
conv.convert_dft_input()
SK = SumkDFTTools(filename+'.h5')
mesh = (-10.0,10.0,500)
SK.dos_wannier_basis(broadening=(mesh[1]-mesh[0])/float(mesh[2]),
mesh=mesh,
save_to_file=True,
with_Sigma=False,
with_dc=False)