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Search results for materials science dft

materials-science x

8 search results found

Atomate2 ⭐ 112

atomate2 is a library of computational materials science workflows

Dmftwdft ⭐ 25

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages

Aiida Fleur ⭐ 13

Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw.de) implementing DFT methods. This is a JuDFT effort see (www.judft.de).

Curie_calculator ⭐ 7

Magnetic critical temperature Calculator

Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Quantum_esperanto ⭐ 5

Very fast parser for the XML logs produced with the VASP, Vienna Ab initio Simulation Package

Aiida Jutools ⭐ 5

Tools for simplifying daily work with the AiiDA workflow engine

1-8 of 8 search results

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