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[Feature Request]: Store and optionally write out the internal PhononCalc results in QHACalc

Status: Open.

#169 In materialyzeai/matcalc;

· Andrew-S-Rosen opened on Mar 8, 2026

[Bug]: QHACalc does not work with relax_structure=False and an Atoms object as input

bugSomething isn't workingSomething isn't working

Status: Open.

#152 In materialyzeai/matcalc;

· Andrew-S-Rosen opened on Mar 3, 2026

[Bug]: The QHACalc temperatures and Gibbs free energies are not the same length

bugSomething isn't workingSomething isn't working

Status: Open.

#150 In materialyzeai/matcalc;

· Andrew-S-Rosen opened on Mar 2, 2026

[Feature Request]: Universal calculators need to be explicit on the model

Status: Open.

#120 In materialyzeai/matcalc;

· shyuep opened on Nov 18, 2025

[Feature Request]: units

Status: Open.

#85 In materialyzeai/matcalc;

· computron opened on Aug 1, 2025