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