ncrystal-plugin-GraphiticData
Generation of ncmat files
Graphite oxides and fullerite
The NCMAT files of graphite oxides and fullerite (C60) are generated by Shuqi Xu on behalf of the Work Package 2 of the HighNESS project using the NCrystal tool NCMATComposer.
The cif file and the phonon density of states (PDOS) are provided by Marco Bernasconi and Debdipto Acharya from Università di Milano-Bicocca.
Graphite intercalation compounds
The NCMAT files of graphite oxides and fullerite (C60) are generated by Douglas D. DiJulio on behalf of the Work Package 2 of the HighNESS project using the NCrystal tool NCMATComposer.
The CIF files are from Material Project and the Debye model is used for PDOS.
How to install:
This is as simple as:
pip install ncrystal-plugin-GraphiticData
How to use
An jupyter notebook example is provided: https://github.com/highness-eu/ncmat-graphitic/blob/HEAD/plot_example_graphitic.ipynb
1 maintainer
Metadata
1 maintainer
Release files for ncrystal-plugin-GraphiticData 0.0.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| ncrystal_plugin_graphiticdata-0.0.2.tar.gz | 82.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| ncrystal_plugin_graphiticdata-0.0.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 166.1 kB
Release files / ncrystal_plugin_graphiticdata-0.0.2.tar.gz
| Download URL | ncrystal_plugin_graphiticdata-0.0.2.tar.gz |
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| Size | 83.9 kB |
| Tags | Python 3 |
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