[Pw_forum] vdw2

DONG Rui rdong at ncsu.edu
Sat Jul 30 17:06:29 CEST 2011


Hi, all

Thanks for last reply.
Now I am wondering, what is the difference between vdw1 and vdw2?
In the short name definition, vdw-df=".........+vdw", I guess, it is vdw1
because in the output is shows,
  Exchange-correlation      = SLA+PW+RPB+VDW ( 1 4 4 0 1)
But, when I define the input_dft=" SLA+PW+RPB+VDW2", output says "conflict",

Now, Can anyone tell me the difference?
Are the 1 and 2 from the two references consequently?

Thank you!

Rui
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