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
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html