Dear Expert, I am performing spin polarised calculations for one system having 24 atoms with 3 types. Two of them are spin polarised and one is not. During the projected dos calculations I got different dos for each atom, what I am expecting for the same type of atoms i should get the same dos data. I am not able to understand, the result that I am getting is correct or something wrong I am doing I am attaching here the input file and arrangement of atoms.
https://drive.google.com/drive/u/0/folders/1NPl38rKa2OHwWl-MZ7QnMSQf4xYy77eZ I'll be very thankful for any suggestions. Thanks & 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) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
