aiidalab-qe/plugins.yaml at main · aiidalab/aiidalab-qe · GitHub

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---
aiidalab-qe-vibroscopy:
    title: Phonons and IR/Raman (aiidalab-qe-vibroscopy)
    description: Plugin to compute phonons, IR/Raman spectra, Inelastic Neutron Scattering of materials via finite displacement and finite field approach.
    author: Miki Bonacci, Andres Ortega Guerrero, Lorenzo Bastonero and Nicola Marzari
    github: https://github.com/mikibonacci/aiidalab-qe-vibroscopy@v1.2.0
    post_install: setup-phonopy
    status: stable
    category: calculation
    requires_aiidalab_qe: '>24.04.0'

aiidalab-qe-muon:
    title: Muon spectroscopy (aiidalab-qe-muon)
    description: Compute properties to assist µSR experiments, such as muon stopping sites and related properties (local fields and polarization signals).
    author: Miki Bonacci, Ifeanyi J. Onuorah, Pietro Bonfa', Giovanni Pizzi and Roberto de Renzi
    github: https://github.com/mikibonacci/aiidalab-qe-muon@v1.0.0
    post_install: setup-python3
    status: stable
    category: calculation
    requires_aiidalab_qe: '>24.04.0'

aiida-bader:
    title: Bader charge analysis (aiida-bader)
    description: Perform Bader charge analysis of the electronic charge density
    author: Xing Wang
    github: https://github.com/superstar54/aiida-bader
    documentation: https://aiida-bader.readthedocs.io/
    pip: aiida-bader
    post_install: post-install
    status: stable
    category: calculation
    requires_aiidalab_qe: '>24.04.0'

aiida-qe-xspec:
    title: Core-level spectroscopy (aiida-qe-xspec)
    description: Core-level spectroscopy calculations with Quantum ESPRESSO.
    author: Peter Gillespie, Michael A. Hernandez-Bertran, Giovanni Pizzi, Deborah Prezzi, Xing Wang (ordered by last name alphabetically)
    github: https://github.com/aiidaplugins/aiida-qe-xspec
    documentation: https://aiida-qe-xspec.readthedocs.io/
    pip: aiida-qe-xspec
    post_install: post-install
    status: beta
    category: calculation
    requires_aiidalab_qe: '>24.04.0'

aiidalab-qe-wannier90:
    title: Wannier functions (aiidalab-qe-wannier90)
    description: A plugin to compute Wannier functions using Quantum ESPRESSO and the Wannier90 code.
    author: Xing Wang, Junfeng Qiao, Nicola Marzari and Giovanni Pizzi
    github: https://github.com/aiidalab/aiidalab-qe-wannier90
    documentation: https://aiidalab-qe-wannier90.readthedocs.io/
    pip: aiidalab-qe-wannier90
    status: beta
    category: calculation
    requires_aiidalab_qe: '>26.01.0'

aiidalab-qe-hp:
    title: Hubbard parameters (aiidalab-qe-hp)
    description: A plugin to compute Hubbard parameters with Quantum ESPRESSO.
    author: Xing Wang, Lorenzo Bastonero and Iurii Timrov
    github: https://github.com/superstar54/aiidalab-qe-hp
    documentation: https://aiidalab-qe-hp.readthedocs.io/
    pip: aiidalab-qe-hp
    status: beta
    category: calculation
    requires_aiidalab_qe: '>24.04.0'

aiidalab-qe-pp:
    title: Post-processing (aiidalab-qe-pp)
    description: A plugin enabling analysis of charge density, spin density, molecular orbitals, STM images, and more.
    author: Andres Ortega-Guerrero
    github: https://github.com/AndresOrtegaGuerrero/aiidalab-qe-pp
    post_install: post-install
    status: beta
    category: calculation
    requires_aiidalab_qe: '>24.04.0'