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[Inference] PosDefException: matrix is not positive definite during band structure calculation (Cholesky factorization failed)

Status: Open.

#97 In mzjb/DeepH-pack;

· alagappandaniyal555-commits opened on Apr 23, 2026

Linker Errors Compiling OpenMX (Full and Overlap-Only) on Jetstream & macOS

Status: Open.

#96 In mzjb/DeepH-pack;

· ebarati opened on Jul 24, 2025

Why does "kill" always happen when preprocessing but no error is raised?

Status: Open.

#95 In mzjb/DeepH-pack;

· wplf opened on May 25, 2025

后续处理

Status: Open.

#94 In mzjb/DeepH-pack;

· lesilel opened on May 23, 2025

the parameters in default.ini

Status: Open.

#92 In mzjb/DeepH-pack;

· Dengsongquanch opened on Mar 12, 2025

How can i get the mean absolute errors (MAEs) in units of meV of DFT Hamiltonian matrix elements

Status: Open.

#91 In mzjb/DeepH-pack;

· xiaowangfeng opened on Feb 25, 2025

Questions about band.json parameter settings

Status: Open.

#89 In mzjb/DeepH-pack;

· Dengsongquanch opened on Feb 12, 2025

Does the current version of DeePH support the computation of general models?

Status: Open.

#88 In mzjb/DeepH-pack;

· cailrain opened on Feb 9, 2025

deepH安装依赖环境问题

Status: Open.

#87 In mzjb/DeepH-pack;

· ZFXDO opened on Jan 21, 2025

slow sparse matrix calculations

Status: Open.

#85 In mzjb/DeepH-pack;

· StudenT115 opened on Jan 10, 2025

Questions about orbital.

Status: Open.

#84 In mzjb/DeepH-pack;

· dongsh0320 opened on Jan 2, 2025

questions about the graphene dataset

Status: Open.

#83 In mzjb/DeepH-pack;

· Dengsongquanch opened on Dec 24, 2024