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aiida-vibroscopy

AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.

status stable AiiDA >=2.8,<3.0

General information

Install pip install aiida-vibroscopy
Source code https://github.com/bastonero/aiida-vibroscopy
Documentation https://aiida-vibroscopy.readthedocs.io/en/latest/
Contact Lorenzo Bastonero <bastonero.lorenzo@gmail.com>
Python import import aiida_vibroscopy
Latest version 1.5.0
Released 2026-03-24

Registry checks

W008: Unable to reach documentation URL: https://aiida-vibroscopy.readthedocs.io/en/latest/
Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Data 2 Workflows 6 Console scripts 1

Entry points

Data node types aiida.data

  • vibroscopy.fp

    aiida_vibroscopy.data.vibro_fp:VibrationalFrozenPhononData

  • vibroscopy.vibrational

    aiida_vibroscopy.data.vibro_lr:VibrationalData
WorkChains and work functions aiida.workflows

  • vibroscopy.dielectric

    aiida_vibroscopy.workflows.dielectric.base:DielectricWorkChain

  • vibroscopy.dielectric.numerical_derivatives

    aiida_vibroscopy.workflows.dielectric.numerical_derivatives:NumericalDerivativesWorkChain

  • vibroscopy.phonons.harmonic

    aiida_vibroscopy.workflows.phonons.harmonic:HarmonicWorkChain

  • vibroscopy.phonons.phonon

    aiida_vibroscopy.workflows.phonons.base:PhononWorkChain

  • vibroscopy.spectra.intensities_average

    aiida_vibroscopy.workflows.spectra.intensities_average:IntensitiesAverageWorkChain

  • vibroscopy.spectra.iraman

    aiida_vibroscopy.workflows.spectra.iraman:IRamanSpectraWorkChain
Console scripts console_scripts

  • aiida-vibroscopy

    aiida_vibroscopy.cli:cmd_root