[QE-users] some query about desnity of states
Poonam Kaushik
poonamkaushik40 at gmail.com
Sat Oct 31 00:20:43 CET 2020
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.
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