Hi!

I no longer keep Stoll's paper (had to clean up!), but
I don't believe that it is proper to add the stoll
correction to vwn lda correlation, and request a
gradient based correlation such as perdew at the same
time.

For example:

xc
lda vwn stoll
gradients becke perdew
end

is not proper

but

xc
lda vwn stoll
gradients becke
end

is ok.

Am I correct?

Thanks!
Gustavo

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Gustavo A. Mercier, Jr., MD,PhD
Seattle Nuclear Medicine & U/S Associates
1229 Madison, Suite 1150
Seattle, WA 98104-1377
voice: 206-386-6300; fax: 206-386-6312
gamercier_at_yahoo.com