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by ak123
Thu Feb 17, 2022 9:03 am
Forum: VTSTTools
Topic: Split_dos.py error
Replies: 0
Views: 77286

Split_dos.py error

Hello,

I am running split_dos.py script for calculating the d-band center of Pd slab.
The scipts runs fine for spin restricted cases but it gives error when running for spin-unrestricted.

I am using VASP 5.4. It would be great if you can please help me out here.

Here is the error below:

File ...