Skip to content

Commit dff32fb

Browse files
authored
Update link to qe KCW docs and fix lines to print from ZnO json (#251)
Minor change, going to merge now
1 parent 1e05053 commit dff32fb

1 file changed

Lines changed: 2 additions & 3 deletions

File tree

docs/input_file.rst

Lines changed: 2 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -129,7 +129,7 @@ These individual projections (either as dictionaries or as strings) must be prov
129129
We can achieve both of the above via the list-of-lists syntax. Consider the following example for the wannierization of bulk ZnO
130130

131131
.. literalinclude:: ../tutorials/tutorial_3/01-ki/zno.json
132-
:lines: 47-55
132+
:lines: 54-62
133133
:dedent:
134134

135135
In ZnO, the bands form several distinct blocks. The first block of occupied bands have Zn 3s character, the next Zn 3p, then O 2s, and finally Zn 3d hybridized with O 2p. The first empty bands have Zn 4s character. You can see this reflected in the way the projections have been specified. If we were to run the workflow with this configuration, it will run five separate Wannierizations, one for each sub-list.
@@ -161,8 +161,7 @@ This subblock contains keywords specific to ``kcp.x``, a modified version of ``c
161161

162162
The kcw subblock
163163
~~~~~~~~~~~~~~~~
164-
This subblock contains keywords specific to ``kcw.x`` (see the `list of valid kcw.x keywords <https://www.quantum-espresso.org/Doc/INPUT_KCW.html>`_). Non-experts will never need to change these keywords.
165-
164+
This subblock contains keywords specific to ``kcw.x`` (see the `list of valid kcw.x keywords <https://www.quantum-espresso.org/Doc/INPUT_kcw.html>`_). Non-experts will never need to change these keywords.
166165

167166
The ui subblock
168167
~~~~~~~~~~~~~~~

0 commit comments

Comments
 (0)