[CPMD-list] Lame question about functionals.

[Jacek Wojdel]

	Dear CPMD users (and authors),
My simple question is as follows.
If I want to use PW91 GGA functional for both exchange and
correlation, is the following enough:

&DFT
 FUNCTIONAL PW91
 GC-CUTOFF
  1.D-5
&END

Or should I rather put:

&DFT
 GRADIENT CORRECTION PW91 PW91
 GC-CUTOFF
  1.D-5
&END

And if the latter is correct, what is the meaning of the first one? Is
it then LDA calculation with "FUNCTIONAL PW91" line ignored by CPMD?
The manual seems to be rather ambiguous here, so any help will be
appreciated.
Regards,
	Jacek Wojdel
-- 
Jacek Cyprian Wojdel                     J.C.Wojdel at tnw.tudelft.nl
Ceramic Membrane Centre, DelftChemTech, 
Delft University of Technology
http://www.dct.tudelft.nl/thepore