The "skip_relax" may not work in the latest version of dpgen init_surf module， please check.

[ysu-007]

Summary

DPGEN Version and Platform

Job submission and computing cluster configuration

Expected Behavior

Actual Behavior

Steps to Reproduce

Further Information, Files, and Links

[HuangJiameng]

Why do you include stage 1 in stages if you want to skip relax?

[HuangJiameng]

skip_relax only decide run stage 2 using CONTCAR generated by stage 1 or an unrelaxed POSCAR. stages actually
controls the stages you run.

[ysu-007]

I think the main function of the first step is to build the initial structures. Then you can choose whether to relax these structures, which are controlled by the "skip_relax" command.

[HuangJiameng]

I think I have answered in #927. Besides, what do you mean by initial structures? If skip_relax is True, then the POSCAR you provide is the "initial structure".

[HuangJiameng]

We have chatted on it. If one only wants to prepare surf-xxx/sys-xxx folders for the second stage but wants to skip relaxation, dpgen init_surf PARAM should be used (without MACHINE), and set "skip_relax": true. I will put this in the manual.