Dear QE Experts, I am doing a spin polarised calculations. I have 3 types of atoms in my system in which two I am taking as s spin polarised. During Wannier_ham.x calculations, I am getting the wrong projection of the Wannier function for one type of atom that is spin unpolarised. This thing is happening in the spin1 case only, while in spin2 everything is fine as i defined in my input file. Please help me to understand why this is happening.
Warm regards, Poonam Sharma ------------------------------------------------------------------------------------------------- Poonam Sharma Research Scholar Department of Physics Indian Institute of Technology Bombay Mumbai - 400076 India.
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
