Merge branch 'develop' into publish-gh-pages

README.md

@@ -10,7 +10,7 @@ Note that this code couples with VASP code, and the electron-phonon interaction
 properties can not be computed only using this code.
 
 Phelel user documentation is found at
-http://phonopy.github.io/phelel/
+https://phonopy.github.io/phelel/
 
 ## Installation
 

doc/index.md

@@ -3,12 +3,58 @@
 A code that provides a few computations related to electron-phonon interaction
 calculation in finite-displacement method reported by
 
-Laurent Chaput, Atsushi Togo, and Isao Tanaka, Phys. Rev. B **100**, 174304
+- Laurent Chaput, Atsushi Togo, and Isao Tanaka, Phys. Rev. B **100**, 174304
 (2019).
+- Manuel Engel, Henrique Miranda, Laurent Chaput, Atsushi Togo, Carla Verdi,
+  Martijn Marsman, and Georg Kresse, Phys. Rev. B **106**, 094316 (2022)
 
-Note that this code couples with VASP code, and the electron-phonon interaction
-properties can not be computed only using this code.
+This code couples with VASP code, and the electron-phonon interaction properties
+cannot be computed only using this code.
 
+Properties calculated using phelel and VASP codes:
+
+- Thermoelectric properties
+- Bandgap renormalization
+
+(phelel_workflow)=
+## Workflow of electron-phonon interaction calculation
+
+1. (Phelel) Generate supercell structures with atomic displacements from a given unit cell
+2. (VASP) Run VASP calculations for the supercell structures to obtain local
+  potentials and PAW strengths under atomic displacements
+3. (Phelel) Collect VASP results and computer derivatives of local potentials and PAW
+  strengths with respect to atomic displacements
+4. (VASP) Run VASP with derivatives of local potentials and PAW strengths to
+   calculate electron-phonon interaction strengths and related properties, e.g.,
+   - Electrical conductivity
+   - Seebeck coefficient
+   - Electrical thermal conductivity
+
+## Command-line tools
+
+### `phelel` and `phelel-load`
+
+These command-line tools are used to perform the steps 1 and 3 in
+{ref}`phelel_workflow`. Usage of `phelel` and `phelel-load` commands are similar
+to `phonopy` and `phonopy-load` commands in
+[phonopy](https://phonopy.github.io/phonopy/) code for phonon calculation.
+
+### `velph`
+
+(see {ref}`velph_command`)
+
+The `velph` command organizes the {ref}`phelel_workflow` by running its
+sub-commands in a specific sequence. These `velph` sub-commands can perform the
+following operations:
+
+- Execute `phelel`.
+- Generate VASP input files for the following calculations (required for the
+  subsequent electron-phonon interaction calculation):
+  - Dielectric constant
+  - Born effective charges
+  - Electronic band structure and density of states
+- Generate VASP input files for phonon and lattice thermal conductivity
+  calculations using phonopy and phono3py.
 ## License
 
 BSD-3-Clause.

doc/velph.md

@@ -1,3 +1,4 @@
+(velph_command)=
 # velph command
 
 The `velph` command is a convenient tool to systematically perform