Shenghao Dong

Thank you for your prompt response. To clarify further: 1.Dataset Naming Conventions: For the monolayer naming (e.g., 37_4), does "37" refer to the 37th perturbed configuration, and "4" indicate the...

Thank you very much for your patient and detailed responses. I truly appreciate the dedication and hard work of you and your team in advancing this research and supporting the...

Dear developer, After carefully learning your paper, I realized that many of my earlier questions were actually addressed in detail in the latter sections. I sincerely appreciate your patience in...

Dear developer, Thank you for your prompt response. I completely understand the procedure and will reach out to the corresponding author as suggested. I truly appreciate all the guidance you've...

Dear Developer, I hope this message finds you well. Thank you sincerely for your guidance and support thus far. Through my supervisor, Prof. Bing Huang, I have already contacted your...

Thank you for your reply and reminder. I have modified the orbital data to make it match (Thank you for your careful check. I have read it several times but...

Thank you for patiently forwarding these links; I have learned them all. I have a new question regarding the SK model: if I want to train a system with three...

Hi, after some attempts, I have successfully run the skmodel. However, I noticed that the training loss initially decreased but then increased, reaching a minimum around 10^-3 before eventually stabilizing...

Thanks for your reply. Through ```nscf``` calculation of ABACUS to output ```BANDS_1.dat```, ```eigenvalues.npy``` has been obtained. I meet another error. You know, band should be calculated by nscf after scf....

Thank you for your timely reply. I see. But for multi-element systems, the model can be particularly poor if it can't learn hopping between different elements, I guess. In the...