[Wien] Chern Number calculation

Burhan Ahmed burhan.ahmed at aus.ac.in
Thu Mar 21 09:44:31 CET 2024


Hello experts,
This is regarding Chern Number calculation of a material. As mentioned in the article "https://doi.org/10.48550/arXiv.2303.16306" I have done the procedures smoothly for calculating wcc but whenever I try to calculate the Chern Number using Chern.py script I got the following error message:

Traceback (most recent call last):
  File "/home/bisharma/WIEN2k/InP/CherN.py", line 120, in <module>
    raise ValueError(f'The values for i_band, s_band, n_1 and n_2 should be positive.')
ValueError: The values for i_band, s_band, n_1 and n_2 should be positive.



Though I have tried with changing the i_band and f_band and discritization, but I got the same error message.

Looking forward for possible solutions.
Thank You

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