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Error in routine phoebe (1): atom mapping failed error

Status: Open.

#239 In phoebe-team/phoebe;

· Vandemoo opened on Mar 20, 2025

Long-range dynamical matrix correction works for Quantum EPSRESSO force constants, but not for Phonopy force constants

bugSomething isn't workingSomething isn't working

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#227 In phoebe-team/phoebe;

· BogdanRajkov opened on Oct 18, 2024

QE's force constant file format has changed, breaking QEParser::parsePhHarmonic

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#226 In phoebe-team/phoebe;

· BogdanRajkov opened on Oct 17, 2024

electronWannierTransport calculations crash

bugSomething isn't workingSomething isn't working

Status: Open.

#225 In phoebe-team/phoebe;

· SiyuChern opened on Oct 5, 2024

Four-phonon scattering

enhancementNew feature or requestNew feature or request

New feature

Status: Open.

#190 In phoebe-team/phoebe;

· jcoulter12 opened on Jun 26, 2023

Convert from ScaLAPACK to ELPA

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#186 In phoebe-team/phoebe;

· jcoulter12 opened on Jun 1, 2023

Refactor HDF5 functionality

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#175 In phoebe-team/phoebe;

· jcoulter12 opened on Jan 30, 2023

Refactor Context::printInputSummary

enhancementNew feature or requestNew feature or request

Status: Open.

#168 In phoebe-team/phoebe;

· jcoulter12 opened on Dec 12, 2022

Update and document the elPhCouplingPlot app

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#167 In phoebe-team/phoebe;

· jcoulter12 opened on Dec 9, 2022

Add tests for long-range correction and 2D materials

enhancementNew feature or requestNew feature or request

Status: Open.

#166 In phoebe-team/phoebe;

· jcoulter12 opened on Dec 6, 2022

Change phonopy input parsing to use a YAML library

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#161 In phoebe-team/phoebe;

· jcoulter12 opened on Sep 13, 2022

Tetrahedron method in transport

Status: Open.

#83 In phoebe-team/phoebe;

· cepellotti opened on Nov 10, 2020