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I want to train a deepks model based on GaN system like single water molecule case and would like to know what are the requirements for the GaN system used...

How to make a dataset for DeePKS training？

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### Details I've read tutorials on DeePKS training, but still don't quite understand what it takes in practice to make a dataset for deepks training. Is it an aimd simulation...

Description： The format generated using dpdata is suitable for deepmd but not for deepks training. Question： 1. How to generate the .npy files in the deepks training set？

Calculations in 00.scf do not converge, resulting in failure to continue training. raise RuntimeError("No system is avaliable") RuntimeError: No system is avaliable

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I am using deepks for multi-label training. In the log.data in the 00.scf for each iter, the computation gradually does not converge, eventually leading to not being able to continue...

Existing tutorials only have tutorials where deepks is running on the local machine. Does deepks support working on remotely connected compute clusters？

Exx_hybrid__alpha is set when generating high-precision data labels in the deepks init step. But it prompts the following in err.iter. "following ars are not in the default list: ['exx_hybrid__alpha']and would...

Is there any way to install deepks offline now？ How to install deepks for servers that can't connect to the internet?

1. The problem of convergence rate decreasing to 0 is mitigated by adjusting the orbital_factor to become smaller. 2. However, as the iteration proceeds, the error of bandgap does not...

1. Replicating the perov case using the code from DeePKS-L-develop, the log.data results are as follows iter.init  iter.00  iter.01  2. Is there a problem with the DeePKS-L-develop...