about DOS and PDOS calculations
Posted: Fri Sep 02, 2011 11:27 pm
I think there should be 2 ways to get DOS and PDOS. one is to set up RWIGS in INCAR, the other is to set up parameter LORBIT=11. am i right?
I have tried both of two ways, but get differnt PDOS curve. so does it beacuse of bad RWIGS set-up? i gave RWIGS according to POTCAR file. Thanks a lot.
I have tried both of two ways, but get differnt PDOS curve. so does it beacuse of bad RWIGS set-up? i gave RWIGS according to POTCAR file. Thanks a lot.