[Pw_forum] PDOS plot for LaFeO3

[Boateng Isaac Wiafe]

Dear All,
 
I am plotting a projected density of states for LaFeO3 system but realized that from literature (eg. Ritzmann et al., 2013 Chem. Mater. 25, 3011-3019) the La atom contribution to the total density of states was neglected. 
Can anyone kindly help me understand why they were ignored and also why only the valence orbitals of O and Fe were considered. Thanks

Best Regards


....
Isaac Wiafe Boateng
MPhil Student
Computational and Theoretical Chemistry Lab
KNUST, Ghana
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