dft_tools/doc/guide/Sr2RuO4/calculate_dos_wannier_basis.py

from triqs_dft_tools.converters.wien2k import Wien2kConverter
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)
renamed converters from app_converter.py to app.py * adapted all occurences of the converter script file names including the doc files * fixed one failing test: Py_basis_transformation.py 2020-06-23 11:13:00 +02:00			`from triqs_dft_tools.converters.wien2k import Wien2kConverter`
start with Sr2RuO4 guide 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)`