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https://github.com/triqs/dft_tools
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8dc42b08ae
* restructuring * added user reference * started working on user guide * added schematic to structure
20 lines
602 B
ReStructuredText
20 lines
602 B
ReStructuredText
.. _orbital_construction:
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Orbital construction
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====================
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.. warning::
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TO BE UPDATED!
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dmftproj
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--------
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The dft_tools package comes with a converter to use `Wien2k <http://www.wien2k.at>`_ band structure calculations as input for the DMFT part of the calculation, through the construction of projective Wannier functions. The first step is done by the program :program:`dmftproj`, producing text output files. In the second step, this ouput is read and converted into the hdf5 format, using the python module :class:`Wien2kConverter`.
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Wannier90
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---------
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.. warning::
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IN PROGRESS!
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