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arpescape icon arpescape

ARPEScape is a MATLAB-based app that contains a set of tools and functions for analysing the electronic structure of materials using photoelectron spectroscopy (PES) techniques, such as X-ray photoelectron spectroscopy (XPS) and angle-resolved photoelectron spectroscopy (ARPES).

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

pbs icon pbs

A python package for submitting and managing PBS jobs

poscar2xsf icon poscar2xsf

Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)

vasp icon vasp

New ASE compliant Python interface to VASP

vasplab icon vasplab

MATLAB functions for processing data from the Vienna Ab initio Simulation Package (VASP) and performing other common tasks related to the atomistic modeling of solid-state systems.

wannier-berri icon wannier-berri

Advanced tool for Wannier interpolation and integration of k-space integrals

wannier_tools icon wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

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