I want to calculate the electronic band structure for CuWO4 using the GGA+U method. Is it necessary to optimize the structure using the same GGA+U method or only we can incorporate the GGA+U parameter in the bandstructure calculation? Actually, I don't have any idea regarding the GGA+U calculation so could you please help me in this regard? Thanking you with regards Jyotirmoy
Jyotirmoy Deb Senior Project Associate Advanced Computation and Data Science Division (ACDSD) CSIR-North East Institute of Science & Technology, Jorhat-785006, Assam, India. & Ex-DST-INSPIRE Senior Research Fellow Department of Physics Assam University, Silchar-788011, Assam, India. Ph. No: +919435589869/+917002140643 Email: deb.jyotirmo...@gmail.com Webpage: https://urldefense.com/v3/__https://sites.google.com/view/jyotirmoy-dft-phy/home__;!!D9dNQwwGXtA!TDvDMKwi4fkxiAQw8c6jyVcCjrZRSBbhioFEa36YzFVCRRQPDJ40bhkdqbnJgJSlrzIBzIead4zj7xdN_xVitLCq$
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