Author Topic: functional equivalent for Xonly and Xalpha  (Read 2385 times)

golden

  • Full Member
  • ***
  • Posts: 31
  • Karma: +0/-0
functional equivalent for Xonly and Xalpha
« on: February 14, 2013, 05:43:47 am »
Dear All,
    I have an question about the functionals used in ridft or dscf calculations.

In ADF, they have used Xonly and Xalpha functionals and I would like to know are they equivalence to the Turbomole's ;  slater-dirac-exchange functional and s-vwn functional ?

Is there any way to find out whether they are equivalent ?

Thanks