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Revision 2 as of 2014-10-13 05:47:49

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location: Change the amount of HF exchange in functionals

Change the amount of HF exchange in functionals

Only for BLYP series:

$scf
RKS
DFT
# new functional with cX*HF+(1-cX)*B88
VBLYP 
hfexchange
0.0
charge
0
spin
1
THRESHCONV
1.d-12 1.d-10
OPTSCR
1
$end