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Merge branch 'unstable' of https://github.com/jkarp314/dft_tools into unstable

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Jonathan Karp 2020-06-11 18:15:54 -04:00
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doc/guide/conv_W90.rst
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@ -84,7 +84,7 @@ In our `Pnma`-LaVO\ :sub:`3` example, for instance, we could use::
where the ``x=-1,1,0`` option indicates that the V--O bonds in the octahedra are
rotated by (approximatively) 45 degrees with respect to the axes of the `Pbnm` cell.
The last line of :file:`seedname.inp` is the DFT Fermi energy, which is subtracted from the onsite terms in the :file:`seedname_hr.dat` file. This line is optional and may be left out.
The last line of :file:`seedname.inp` is the DFT Fermi energy (in eV), which is subtracted from the onsite terms in the :file:`seedname_hr.dat` file. This is recommended since some functions in DFTTools implicitly assume a Fermi energy of 0 eV.
The converter will analyse the matrix elements of the local Hamiltonian
to find the symmetry matrices `rot_mat` needed for the global-to-local