Commit 950327f3 authored by Tuomas Rossi's avatar Tuomas Rossi

Do minor editing of the documentation

parent e71326e7
......@@ -81,7 +81,8 @@ Some important points are:
but ``1e-20`` does not hurt (note that this is the **quadratic** error).
* One should use multipole-corrected Poisson solvers or
other advanced Poisson solvers in any TDDFT run
in order to guarantee the convergence of the potential.
in order to guarantee the convergence of the potential with respect to
the vacuum size.
See the documentation on :ref:`advancedpoisson`.
Next the calculation proceeds as in the grid mode with ``TDDFT`` object.
......@@ -192,7 +193,7 @@ Advanced analysis tools
In :ref:`example` it was demonstrated how to calculate photoabsorption
spectrum from the time-dependent dipole moment data collected with
``DipoleMomentWriter()`` observer.
``DipoleMomentWriter`` observer.
The code is not limited to this analysis but any (also user-written)
analysis tools can be embedded in the general time-propagation framework.
......@@ -222,8 +223,8 @@ with ``WaveFunctionWriter()`` observer:
.. literalinclude:: lcaotddft_Na8/tdc.py
The created ``wfw.ulm`` file contains the time-dependent wave functions
`C_{\mu n}(t)` that define the state of the system at each time instance.
We can use that file to replay the time propagation:
`C_{\mu n}(t)` that define the state of the system at each time.
We can use the file to replay the time propagation:
.. literalinclude:: lcaotddft_Na8/td_replay.py
......@@ -243,8 +244,8 @@ Kohn--Sham decomposition of the density matrix
Kohn--Sham decomposition is an illustrative way of analyzing electronic
excitations in Kohn--Sham electron-hole basis.
For demonstration and description of the implementation,
see Ref. [#Rossi2017]_.
See Ref. [#Rossi2017]_ for the description of the GPAW implementation
and demonstration.
Here we demonstrate how to construct the photoabsorption decomposition
at a specific frequency in Kohn--Sham electon-hole basis.
......
Markdown is supported
0%
or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment