Merge pull request #238 from Exabyte-io/chore/SOF-6394

chore/SOF-6394

.gitignore

@@ -10,3 +10,6 @@ oauth-credentials.json
 service-account-key.json
 *.py[cod]
 
+# ignore media files in scripts folder
+scripts/*.mp3
+scripts/*.mp4

INTERNAL.md

@@ -5,32 +5,36 @@
 Follow the below instructions to upload/update a tutorial video:
 
 1. Create a metadata file similar to the one in [here](lang/en/docs/tutorials/dft/electronic/band-gap.json).
+
+   > Note: For each step, the time elapsed between `startTime` and `endTime` should approximately be the duration of the spoken sentence.
+   > I.e. this is almost impossible to get right on the first try and will need further refinement.
 
-2. Make sure to remove `youTubeId`. This field is automatically added by the [video manager](video-manager.py) script once the video is uploaded.
+3. Make sure to remove `youTubeId`. This field is automatically added by the [video manager](video-manager.py) script once the video is uploaded.
 
-3. In metadata file, `descriptionLinks` is a list of links which are added to video description. See [description template](video-description.jinja) for more details.
+4. In metadata file, `descriptionLinks` is a list of links which are added to video description. See [description template](video-description.jinja) for more details.
 
-4. Run the below command to add voice to the video:
+5. Run the below command to add voice to the video:
 
-```bash
-python video-manager.py voiceover --file PATH_TO_ORIGINAL_VIDEO --metadata PATH_TO_METADATA --audio PATH_TO_SAVE_AUDIO --output PATH_TO_SAVE_NEW_VIDEO
-```
+   ```bash
+   python video-manager.py voiceover --file PATH_TO_ORIGINAL_VIDEO --metadata PATH_TO_METADATA --audio PATH_TO_SAVE_AUDIO --output PATH_TO_SAVE_NEW_VIDEO
+   ```
+   whereby `PATH_TO_SAVE_AUDIO` and `PATH_TO_SAVE_NEW_VIDEO` should have the file extension `.mp3` and `.mp4`, respectively.
 
 5. Retry step 4 with adjusted `youTubeCaptions` data until the optimal outcome is achieved.
 
 6. Before uploading, make sure that the timings of the `youTubeCaptions` sentences in the metadata file match exactly the duration of their pronunciations in the voiceover. This ensures that the subtitles will be synced correctly to the voice in the final online video version.
 
 7. Run the below command to upload/update the video once metadata is ready:
 
-```bash
-python video-manager.py upload --file PATH_TO_VIDEO --metadata PATH_TO_METADATA
-```
+    ```bash
+    python video-manager.py upload --file PATH_TO_VIDEO --metadata PATH_TO_METADATA
+    ```
 
 8. The video privacy status is set to `unlisted` by default. Pass privacy status as below to override it:
 
-```bash
-python video-manager.py update --file PATH_TO_VIDEO --metadata PATH_TO_METADATA --privacyStatus public
-```
+    ```bash
+    python video-manager.py update --file PATH_TO_VIDEO --metadata PATH_TO_METADATA --privacyStatus public
+    ```
 
 9. Commit the new changes to metadata file such as `youTubeId` and push.
 

lang/en/docs/materials/classification/crystalline.md

@@ -2,7 +2,7 @@
 
 The complete **crystal structure** [^1] of a **crystalline material** is obtained when a [set of atoms](../../properties-directory/structural/basis.md), known as the **basis atoms** or **repeating unit**, are convolved (combined) with each one of the lattice points of the underlying [Bravais lattice](../../properties-directory/structural/lattice.md). 
 
-This results in a crystal structure with **long-range order**, which gives its corresponding [space group](../../properties-directory/structural/space-group.md) symmetry assignment.
+This results in a crystal structure with **long-range order**, which gives its corresponding [space group](../../properties-directory/structural/symmetry.md#space-group) symmetry assignment.
 
 ## Visualization
 

lang/en/docs/materials/classification/non-periodic.md

@@ -1,8 +1,11 @@
 # Non-Periodic Materials
 
-The complete **structure** of a **non-periodic chemcial system** is obtained from a [set of atoms](../../properties-directory/structural/non-periodic-basis.md), known as the **basis atoms**, that describe a set of non-repeating atoms that are held together by covalent or non-covalent interactions.  
+The complete **structure** of a **non-periodic chemical system** is obtained from a
+[set of atoms](../../properties-directory/structural/basis.md), known as the **basis atoms**, that describe
+a set of non-repeating atoms that are held together by covalent or non-covalent interactions.  
 
-This results in a structure with a specific geometry which gives it a defined [point-group](../../properties-directory/structural/point-group.md)[^1] symmetry assignment.
+This results in a structure with a specific geometry which gives it a defined
+[point-group](../../properties-directory/structural/symmetry.md#point-group)[^1] symmetry assignment.
 
 Examples of **non-periodic structures** include **molecules**[^2], like **methane**[^3].
 

lang/en/docs/properties-directory/overview.md

@@ -14,17 +14,18 @@ Below we provide a list of Materials properties that can be [extracted](../prope
 
 ### Scalar
 
-| Property                                             | Overview                                         |
-|:---------------------------------------------------  |:------------------------------------------------|
-| [Total Energy](scalar/total-energy.md)  | The ground state energy (free energy) of the system |
-| [Fermi Energy](scalar/fermi-energy.md)  | The highest energy level occupied by electrons in a system |
-| [Surface Energy](scalar/surface-energy.md)           | The energy of a crystal surface |
-| [Formation Energy](scalar/formation-energy.md)           | The energy required to create defects |
-| [Reaction Energy Barrier](scalar/reaction-energy-barrier.md)    | The activation energy required by the reactants to undergo a chemical reaction |
-| [Pressure](scalar/pressure.md)                       | Scalar average pressure |
-| [Zero Point Energy](scalar/zero-point-energy.md) | Energy of the lowest vibrational level wrt to vacuum |
-| [Total Energy Contributions](scalar/total-energy.md#total-energy-contributions) | Ewald, Exchange correlation and	Hartree contributions to the total energy |
-| [Total Force](scalar/total-force.md)                 | Sum of the atomic forces |
+| Property                                                                        | Overview                                                                       |
+|:--------------------------------------------------------------------------------|:-------------------------------------------------------------------------------|
+| [Total Energy](scalar/total-energy.md)                                          | The ground state energy (free energy) of the system                            |
+| [Fermi Energy](scalar/fermi-energy.md)                                          | The highest energy level occupied by electrons in a system                     |
+| [Surface Energy](scalar/surface-energy.md)                                      | The energy of a crystal surface                                                |
+| [Formation Energy](scalar/formation-energy.md)                                  | The energy required to create defects                                          |
+| [Reaction Energy Barrier](scalar/reaction-energy-barrier.md)                    | The activation energy required by the reactants to undergo a chemical reaction |
+| [Pressure](scalar/pressure.md)                                                  | Scalar average pressure                                                        |
+| [Zero Point Energy](scalar/zero-point-energy.md)                                | Energy of the lowest vibrational level wrt to vacuum                           |
+| [Total Energy Contributions](scalar/total-energy.md#total-energy-contributions) | Ewald, Exchange correlation and	Hartree contributions to the total energy      |
+| [Total Force](scalar/total-force.md)                                            | Sum of the atomic forces                                                       |
+| [Valence Band Offset](scalar/valence-band-offset.md)                            | Relative position of the valence band across an interface                      |
 
 ### Non-Scalar
 
@@ -42,16 +43,16 @@ Below we provide a list of Materials properties that can be [extracted](../prope
 
 ### Structural
 
-| Property                                             | Overview                                         |
-|:---------------------------------------------------  |:------------------------------------------------|
-| [Magnetic Moments](structural/magnetic-moment.md)    | The magnetic moment of ferromagnetic materials when the "Magnetism" modifier is activated |
-| [Basis Atoms](structural/basis.md)             | The individual atoms comprised in the crystal structure  |
-| [Atomic forces](structural/atomic-forces.md)         | Force exerted on each atom by its surrounding |
-| [Bravais Lattice](structural/lattice.md)             | The underlying Bravais Lattice of the crystal structure |
-| [Space Group](structural/space-group.md)             | Information about the symmetry elements contained in crystal structure |
-| [Final Structure](structural/final-structure.md)     | The final crystal structure obtained from basis atoms and lattice, and its visualization |
-| [InChI](structural/inchi.md)                         | The International Chemical Identifier for a non-periodic structure. |
-| [InchiKey](structural/inchi-key.md)                  | The fixed length, non-human readable identifier string derived from an InChI for a non-periodic structure. |
+| Property                                          | Overview                                         |
+|:--------------------------------------------------|:------------------------------------------------|
+| [Magnetic Moments](structural/magnetic-moment.md) | The magnetic moment of ferromagnetic materials when the "Magnetism" modifier is activated |
+| [Basis Atoms](structural/basis.md)                | The individual atoms comprised in the crystal structure  |
+| [Atomic forces](structural/atomic-forces.md)      | Force exerted on each atom by its surrounding |
+| [Bravais Lattice](structural/lattice.md)          | The underlying Bravais Lattice of the crystal structure |
+| [Symmetry](structural/symmetry.md)                | Information about the symmetry elements contained in crystal structure |
+| [Final Structure](structural/final-structure.md)  | The final crystal structure obtained from basis atoms and lattice, and its visualization |
+| [InChI](structural/inchi.md)                      | The International Chemical Identifier for a non-periodic structure. |
+| [InchiKey](structural/inchi-key.md)               | The fixed length, non-human readable identifier string derived from an InChI for a non-periodic structure. |
 
 ### Elemental
 

lang/en/docs/properties-directory/scalar/valence-band-offset.json

@@ -0,0 +1,7 @@
+{
+    "tags": [
+        "valence band offset",
+        "2D materials",
+        "interface"
+    ]
+}

lang/en/docs/properties-directory/scalar/valence-band-offset.md

@@ -0,0 +1,38 @@
+# Valence Band Offset
+
+<span class="btn badge b-success border-50">Scalar</span> <span class="btn badge b-info border-50">Electronic</span>
+
+The valence band offset (VBO) is the energy difference of the valence band edges $\varepsilon_{v}$ across a heterostructure interface.
+Note, that the VBO is not simply given by the difference of valence band maxima of the two materials, but also depends
+on the electronic distribution at the interface.
+![Band offsets at an A/B heterostructure interface](../../images/properties-directory/band-offset.png){: style="width:420px"}
+Regarding conduction band edges $\varepsilon_{c}$ there exists an equivalent property, termed conduction band offset (CBO).
+
+The VBO plays an important role for the transport properties of charge
+carriers in heterojunction devices (e.g. hole injection efficiency). Using first principles calculations, the VBO can be
+determined through the potential lineup method [^1][^2][^3] or via the local density of states (LDOS) [^3]. For more details
+regarding the potential lineup method, see also the [valence band offset tutorial](../../tutorials/dft/electronic/valence-band-offset.md)
+
+## Example
+
+Its value can be estimated using the valence band offset [workflow](../../workflows/overview.md), and it is returned under the [Results Tab](../../jobs/ui/results-tab.md) interface with the following appearance (in eV).
+
+<div class="clearfix" style="text-align:center">
+    <div class="chart"><i class="zmdi zmdi-unfold-less zmdi-hc-3x"></i></div>
+    <div class="count">
+        <small>Valence Band Offset</small>
+        <h2>0.250</h2>
+    </div>
+</div>
+
+
+## Schema 
+
+The JSON schema and an example representation for this property can be found [here](../../properties/data/list.md#valence-band-offset).
+
+## Links
+
+[^1]: A. Baldereschi, S. Baroni, R. Resta, *Phys. Rev. Lett.* **61**, 734 (1988); DOI: [10.1103/PhysRevLett.61.734](https://www.doi.org/10.1103/PhysRevLett.61.734)
+[^2]: L. Colombo, R. Resta, S. Baroni, *Phys. Rev. B* **44**, 5572 (1991); DOI: [10.1103/physrevb.44.5572](https://www.doi.org/10.1103/physrevb.44.5572)
+[^3]: M. Peressi, N. Binggeli, A. Baldereschi, *J. Phys. D: Appl. Phys.* **31**, 1273-1299 (1998); DOI: [10.1088/0022-3727/31/11/002](https://www.doi.org/10.1088/0022-3727/31/11/002)
+