Search results

Change units for IR spectra calculation

Status: Open.

#82 In bastonero/aiida-vibroscopy;

· bastonero opened on Nov 27, 2024

Update cd workflow tests

priority/nice-to-have

Status: Open.

#80 In bastonero/aiida-vibroscopy;

· bastonero opened on Sep 11, 2024

Tests don't pass with phonopy versions >= 2.26

bugSomething isn't workingSomething isn't working

priority/required

Status: Open.

#77 In bastonero/aiida-vibroscopy;

· bastonero opened on Sep 11, 2024

Harmonic: validation is complaining when dielectric is not in input

bugSomething isn't workingSomething isn't working

priority/nice-to-have

Status: Open.

#74 In bastonero/aiida-vibroscopy;

· bastonero opened on Sep 9, 2024

Add AiiDAlab reference in documentation

Status: Open.

#72 In bastonero/aiida-vibroscopy;

· bastonero opened on Jul 24, 2024

PhononWorkChain: the conv_thr when using protocols refers to unitcell

bugSomething isn't workingSomething isn't working

priority/nice-to-have

Status: Open.

#66 In bastonero/aiida-vibroscopy;

· bastonero opened on Apr 19, 2024

IRamanSpectraWorkChain: the IntensitiesAverageWorkChain is not called correctly

bugSomething isn't workingSomething isn't working

priority/required

Status: Open.

#65 In bastonero/aiida-vibroscopy;

· bastonero opened on Apr 19, 2024

Generation of k-point meshes crashes for non-periodic systems

dependencies

pr-blocked

Status: Open.

#45 In bastonero/aiida-vibroscopy;

· bastonero opened on Aug 22, 2023

Consider switching from pylint to ruff

priority/nice-to-have

Status: Open.

#38 In bastonero/aiida-vibroscopy;

· bastonero opened on Aug 10, 2023

Add development guide

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

priority/required

Status: Open.

#36 In bastonero/aiida-vibroscopy;

· bastonero opened on Aug 1, 2023

Support properties at finite electric fields

enhancementNew feature or requestNew feature or request

priority/nice-to-have

Status: Open.

#12 In bastonero/aiida-vibroscopy;

· bastonero opened on Dec 1, 2022