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Problem in parsing data with dftio-tool for spin-orbit calculations

Status: Open.

#290 In deepmodeling/DeePTB;

· Rizwan130 opened on Dec 8, 2025

Clarification on HSE band structure workflow and training data in DeepTB

Status: Open.

#280 In deepmodeling/DeePTB;

· Rizwan130 opened on Oct 17, 2025

Bug about plotting the band in DeePTB-e3

Status: Open.

#279 In deepmodeling/DeePTB;

· hwf2002 opened on Oct 9, 2025

Bug: torch eig_solver fail in some systems

Bug ReportSomething isn't workingSomething isn't working

Status: Open.

#275 In deepmodeling/DeePTB;

· AsymmetryChou opened on Sep 19, 2025

Remove two-center encoding dependency of Overlap fitting

Refactorcode refactoringcode refactoring

Status: Open.

#263 In deepmodeling/DeePTB;

· floatingCatty opened on Jul 4, 2025

Question about input parameters for the E3 case

Status: Open.

#262 In deepmodeling/DeePTB;

· choi-geunseok opened on Jun 30, 2025

Some update alignment of code.

Refactorcode refactoringcode refactoring

Status: Open.

#239 In deepmodeling/DeePTB;

· floatingCatty opened on Apr 8, 2025

Add support for overlap conditional number check in E3 mode

Status: Open.

#230 In deepmodeling/DeePTB;

· floatingCatty opened on Mar 7, 2025

How to convert eigenvalues obtained from VASP output to eigns.npy and KPOINTS file to kpoints.npy?

Status: Open.

#229 In deepmodeling/DeePTB;

· Rizwan130 opened on Mar 6, 2025

Error: The factorization could not be completed because the input is not positive-definite

Status: Open.

#227 In deepmodeling/DeePTB;

· dongsh0320 opened on Mar 3, 2025

Train：ham_to_feature.py", line 95, in block_to_feature

Status: Open.

#225 In deepmodeling/DeePTB;

· dongsh0320 opened on Feb 24, 2025

Does E3 have the same function of ref-band plot as SK?

Status: Open.

#224 In deepmodeling/DeePTB;

· dongsh0320 opened on Feb 23, 2025