Dear Experts, I am trying to calculate the U parameter for FeS. My scf calculations converging successfully, I am facing converging issue in hp.x calculation. I am attaching here my input and output files. https://drive.google.com/drive/folders/1RyQLoedvST6bdxciqJ6w9qWybrLj_-_Z I'll be very thankful for any help and suggestions.
Thanks and regards, Poonam Sharma ------------------------------------------------------------------------------------------------- Poonam Sharma Research Scholar Department of Physics Indian Institute of Technology Bombay Mumbai - 400076 India.
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