Yambo Community Forum

Dear Sir

While doing the gs calculation of Si bulk, orbital weightage calculation in the script defines
s_orb = [0,16]
p_orb = [1,2,3,17,19,20]

I understand that these numbers are to be looked into projection log file under the bands folder. However, I am wondering what these numbers are telling me actually.

With regards,
Sitangshu

Dear Sitangshu,

these numbers are which atomic orbitals you are representing. The list of atomic orbitals (atom, orbital) is in the file bands/projwfc.log