Gauyer

Thanks for your reply , i can't upload the origin incar potcar and poscar so i make them into txt file The potcar [Pd_POTCAR.txt](https://github.com/deepmodeling/dpgen/files/8552740/Pd_POTCAR.txt) [Se_POTCAR.txt](https://github.com/deepmodeling/dpgen/files/8552743/Se_POTCAR.txt) INCAR: [INCAR.txt](https://github.com/deepmodeling/dpgen/files/8552745/INCAR.txt) POSCAR: [POSCAR1.txt](https://github.com/deepmodeling/dpgen/files/8552762/POSCAR1.txt) [POSCAR3.txt](https://github.com/deepmodeling/dpgen/files/8552766/POSCAR3.txt)...

@AnguseZhang Is there any solution , looking for your help~~