atomic spheres for LORBIT=10, 11, or 12
Posted: Fri Sep 03, 2010 8:45 pm
Hi,
Could you please tell me how VASP determines the radii of the atomic spheres for partial DOS when LORBIT=10, 11, or 12 is used? Does it just take RWIGS from POTCAR? If yes, could you tell me how RWIGS in POTCAR are found?
Thank you,
Alex
Could you please tell me how VASP determines the radii of the atomic spheres for partial DOS when LORBIT=10, 11, or 12 is used? Does it just take RWIGS from POTCAR? If yes, could you tell me how RWIGS in POTCAR are found?
Thank you,
Alex