Removed parabolic band using the closed integrals from examples

docs/examples.rst

@@ -1,234 +1,6 @@
 Examples
 ========
 
-A parabolic band
-----------------
-Here a short example of how to calculate the transport
-coefficients from analytical band generation is presented.
-
-Preparation
-~~~~~~~~~~~
-Start with the :file:`param.yml`, :file:`bandparam.yml` and
-:file:`cellparam.yml` located in the `tests/1` directory.
-
-Copy these files into an `input` directory in a directory
-where you want to execute T4ME.
-
-The general parameters
-~~~~~~~~~~~~~~~~~~~~~~
-Here follows a brief explanation of the general parameters
-that need attention. They are already specified in the sample
-:file:`param.yml` file so the user should not have to change
-this for a test run. All other parameters should at this
-point not need to be touched.
-
-::
-
- transport_calc: True
-
-Perform the calculation of the transport coefficients.
-
-::
-
- transport_method: "closed"
-
-Utilize the Fermi-Dirac integrals form of the integrals.
-
-::
-
- transport_chempot_min: -0.4
-
-The minimum chemical potential to sample, in eV.
-
-::
-
- transport_chempot_max: 0.4
-
-The maximum chemical potential to sample, in eV.
-
-::
-
- transport_chempot_samples: 100
-
-How many samples do you want between ``transport_chempot_min``
-and ``transport_chempot_max``.
-
-::
-
- transport_use_analytic_scattering: True
-
-Use parabolic and analytic models for the electron scattering.
-
-::
-
- temperature_min: 300
-
-The minimum temperature in K.
-
-::
-
- temperature_max: 300
-
-The maximum temperature in K.
-
-::
-
- temperature_steps: 1
-
-The number of temperature steps between ``temperature_min``
-and ``temperature_max``.
-
-::
-
- read: param
-
-Read and generate electronic structure from the file
-:file:`bandparam.yml`.
-
-The band parameters
-~~~~~~~~~~~~~~~~~~~
-Here follows a brief explanation of the band parameters
-that need attention. They are already specified in the
-sample :file:`bandparam.yml` file so the user should not have to
-change this for a test run. All other parameters should at this
-point not need to be touched.
-
-::
-
- Band 1:
-
-Only generate one band.
-
-::
-
- type: 0
-
-Use parabolic band generation.
-
-::
-
- effmass: [-1.0,-1.0,-1.0]
-
-Effective mass in units of the free electron mass.
-For parabolic bands, this needs to be equal along each direction.
-Negative mass gives bands that curve downwards.
-
-::
-
- e0: 0.0
-
-The energy shift in eV.
-
-::
-
- status: v
-
-A valence band.
-
-::
-
- select_scattering: [1,0,0,0,0,0,0,0,0,0,0,0]
-
-Acoustic phonon scattering is selected.
-
-::
-
- d_a: 1
-
-Deformation potential in units of eV.
-
-::
-
- speed_sound: 10000
-
-Speed of sound in units of m/s.
-
-::
-
- rho: 10
-
-The density of the material in units of :math:`\mathrm{g}/\mathrm{cm}^3`.
-
-The cell parameters
-~~~~~~~~~~~~~~~~~~~
-Here follows a brief explanation of the cell parameters
-that need attention. They are already specified in the
-sample :file:`cellparam.yml` file so the user should not have
-to change this for a test run. All other parameters should at
-this point not need to be touched.
-
-This data is mainly used to set up the symmetry of the
-Brillouin zone, the k-point mesh and the mapping between the
-irreducible and full Brillouin zone.
-
-::
-
- a: [5.0,0.0,0.0]
- b: [0.0,5.0,0.0]
- c: [0.0,0.0,5.0]
-
-The vectors determining the unit cell. Units in AA.
-
-::
-
- pos: [[0.0,0.0,0.0]]
-
-Put one atom at zero.
-
-::
-
- atomtypes: [X]
-
-Of type X.
-
-::
-
- ksampling: [11,11,11]
-
-Request a k-point sampling in the full Brillouin zone of
-11 points along each reciprocal unit cell vector.
-
-If one uses the Fermi-Dirac integrals, i.e. setting
-
-::
-
- transport_method: "closed"
-
-or
-
-::
-
- transport_method: "numeric"
-
-the entries in this file is of no importance. However, as
-soon as
-
-::
-
- transport_method: "numerick"
-
-the entries matter, for the symmetry, k-point grid layout,
-volume scaling factors etc.
-
-Execution
-~~~~~~~~~
-After all parameters have been set (should only be necessary
-to copy files as stated before) the transport coefficients
-can be calculated by executing
-
-::
-
- python t4me.py
-
-During execution the file :file:`info.log` in the
-directory `output` can be inspected in order to assess
-progress and that everything works as expected.
-
-Output
-~~~~~~
-On completion the transport coefficients can be found in
-the `output` directory.
-
 Silicon from first-principles
 -----------------------------
 Here a short example of how to calculate the transport