GitHub - MayCXC/DIPC: Solid state physics project for DIPC.

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Requirements:

C2DB

Dependencies may be installed with the following commands on Ubuntu LTS:

sudo add-apt-repository ppa:deadsnakes/ppa
sudo apt install python3.9 python3.9-dev libxc4 libxc-dev libopenblas-base libopenblas-dev
python3.9 -m pip install --upgrade setuptools pip distlib
python3.9 -m pip install --upgrade --user ase asr gpaw

Numpy, Pandas, Matplotlib, Tabulate, IPywidgets and Jupyter Notebook are also required.

Web Interface:

https://maycxc.github.io/c2db

Credits:

The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals

Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S. Schmidt, Nicki F. Hinsche, Morten N. Gjerding, Daniele Torelli, Peter M. Larsen, Anders C. Riis-Jensen, Jakob Gath, Karsten W. Jacobsen, Jens Jørgen Mortensen, Thomas Olsen, Kristian S. Thygesen

2D Materials 5, 042002 (2018)

Recent Progress of the Computational 2D Materials Database (C2DB)

M. N. Gjerding, A. Taghizadeh, A. Rasmussen, S. Ali, F. Bertoldo, T. Deilmann, U. P. Holguin, N. R. Knøsgaard, M. Kruse, S. Manti, T. G. Pedersen, T. Skovhus, M. K. Svendsen, J. J. Mortensen, T. Olsen, K. S. Thygesen

arXiv:2102.03029 [cond-mat.mtrl-sci]