From e62839f10f0e3c69c9b0fed043ac304d904e31fa Mon Sep 17 00:00:00 2001 From: jkarp314 Date: Wed, 3 Jun 2020 20:12:13 -0400 Subject: [PATCH] Update conv_W90.rst --- doc/guide/conv_W90.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/guide/conv_W90.rst b/doc/guide/conv_W90.rst index ac7539e9..a44704a6 100644 --- a/doc/guide/conv_W90.rst +++ b/doc/guide/conv_W90.rst @@ -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