Search results

Failure to Generate graph_data.npz for ABACUS LCAO Calculations

Status: Open.

#101 In QuantumLab-ZY/HamGNN;

· TiacWei opened on May 19, 2026

Effect of FP64 vs FP32 precision on the band energy/gap MAE

Status: Open.

#99 In QuantumLab-ZY/HamGNN;

· daseob77 opened on May 7, 2026

Installation of HONPAS/SIESTA unclear

Status: Open.

#98 In QuantumLab-ZY/HamGNN;

· kaitrepte opened on Apr 30, 2026

ABACUS SOC graph_data.npz seems incompatible with the public Uni-HamGNN predictor (so3 expects Lon/Loff)

Status: Open.

#97 In QuantumLab-ZY/HamGNN;

· hjunxi22 opened on Apr 15, 2026

Parameter settings in parallel band structure calculation

Status: Open.

#95 In QuantumLab-ZY/HamGNN;

· Ljiamin195 opened on Apr 2, 2026

PKL File Compatibility Issue

Status: Open.

#87 In QuantumLab-ZY/HamGNN;

· cyye001 opened on Mar 4, 2026

NAO_MAX=14 vs 13 orbitals for carbon-petadiamond in the model pipeline

Status: Open.

#85 In QuantumLab-ZY/HamGNN;

· ebarati opened on Feb 9, 2026

pythonUni-HamiltonianPredictor.py --configInput.yaml error

Status: Open.

#84 In QuantumLab-ZY/HamGNN;

· hjunxi22 opened on Jan 29, 2026

Problems of abacus-postprocess

Status: Open.

#83 In QuantumLab-ZY/HamGNN;

· LuckyBoyYao opened on Jan 19, 2026

Uni-HamGNN Runtime error

Status: Open.

#81 In QuantumLab-ZY/HamGNN;

· hjunxi22 opened on Jan 14, 2026

RuntimeError: The size of tensor a (8) must match the size of tensor b (84) at non-singleton dimension 0.

Status: Open.

#80 In QuantumLab-ZY/HamGNN;

· Ljiamin195 opened on Dec 23, 2025

Inquiry on Using Force and Piezoelectric Modules in HamGNN

Status: Open.

#77 In QuantumLab-ZY/HamGNN;

· cailrain opened on Dec 15, 2025