[Pw_forum] about density
Amin Babazadeh
babazade at gmail.com
Sun Oct 8 12:40:27 CEST 2006
dear users
In espresso code we can calculate the DOS for s,p,or d orbitals but as i
know in pwscf method we expand a plane wave function and use it to find
eigenvalues and eigenstete and in the expanded plane wave we don't have a
quantum numbers (i mean n & l ) or orbitals.So how we can say that this is a
DOS diagram of s orbital or p orbital.
Sincerely yours
--
AMIN
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