About the PBE-PAW potential

Message

MDrizzle · #1 Post by **MDrizzle** » Thu Jun 26, 2008 5:26 am

Dear Sir or Madam,

Would you please kindly let me how I could use the RPBE xc-function with the PBE-PAW potential? May I get it from setting in the INCAR as below:

GGA = RP

#2 Post by **admin** » Thu Jun 26, 2008 2:00 pm

MDrizzle · #3 Post by **MDrizzle** » Tue Jul 01, 2008 5:45 am

Thanks so much!

By the way, would you like tell me what exchange function was used in the RPBE? Is it the one proposed by Zhang & Wang OR the one by Hammer et al.?