Renguang
Renguang
@amcadmus @chazeon I cloned the original dpdata code into my local space. But failed to pip install with these codes. Now, I add some function into the dpdata to deal...
> The failed CI build seems to come from readthedocs, due to Python 3.12: > > * [AttributeError: module 'pkgutil' has no attribute 'ImpImporter'. Did you mean: 'zipimporter'?](https://stackoverflow.com/questions/77364550/attributeerror-module-pkgutil-has-no-attribute-impimporter-did-you-mean) > >...
> It looks like you changed the line ending of each file from LF to CRLF, which should be reverted I don't know in what step led me to make...
Of course! I used the `Fe_gga_7au_100Ry_4s2p2d1f.orb`, `Fe.upf`, and `kspacing 0.13` for the calculation. I will enclose all the INPUT files in the following. For KPT: ``` K_POINTS 0 Gamma 5...