Dear developers,
Here are two problems when I repeat the example calculations of LaNiO3_vasp.
I follow the steps in the appendix of your published paper (https://doi.org/10.1016/j.cpc.2020.107778) for dos and band calculation. The dos is ok, but I fail the band calculations.
So far, two problems I've met.
In the paper, Interp_Sig.py is used but I don't find it in the bin/.
when I ran dmft_ksum_band it told me two files including ksum,.input and SigMoo_real.out are required. So how to generate these files?
Thanks a lot for any suggestion
Dear developers, Here are two problems when I repeat the example calculations of LaNiO3_vasp. I follow the steps in the appendix of your published paper (https://doi.org/10.1016/j.cpc.2020.107778) for dos and band calculation. The dos is ok, but I fail the band calculations. So far, two problems I've met.