Kindly let me know what the various columns in the Band Character plot (using tasks: 21) stand for. Why dont htey always add up to a finite value? Is is because some eigenfunctions have lot of plane wave character?(no angular decompositions?)
Thank you
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Hello Kay
Kindly let me know what the various columns in the Band Character plot (using tasks: 21) stand for. Why dont htey always add up to a finite value? Is is because some eigenfunctions have lot of plane wave character?(no angular decompositions?)
Thank you
Hi Ravi,
Assuming you mean the partial density of states files (PDOS_Sss_Aaaaa.OUT), the columns are the density of states projected for each (l,m) component.
So the first column is the energy, the second is for (l=0,m=0), the third is (l=1,m=-1), then (l=1,m=0), then (l=1,m=1), and so on.
See the FAQ for the explanation of the ELMSYM.OUT file.
Cheers, Kay.