CCL:G: B3LYP in Gaussian vs. Dalton

[xunlei ding <dingxunlei,+,gmail.com>]

 Sent to CCL by: xunlei ding [dingxunlei!=!gmail.com]
 I meet the same problem, i.e., how to choose the VWN5 local
 correlation functional for B3LYP instead of VWN3 in Gaussian?
 Can anybody help me?
 Best regards,
 Ding
 2006/10/12 Mikkel Hansen mihan99(0)student.sdu.dk <owner-chemistry .
 ccl.net>:
 > Sent to CCL by: "Mikkel  Hansen" [mihan99 ~~ student.sdu.dk]
 > Hi,
 >
 > I am trying to reproduce published results as an initial task in a project.
 The results from the paper are
 > calculated in DALTON which is also the program I use. But I cannot seem to
 reproduce the results and
 > would therefore like to give it a shot in Gaussian 03 just to rule out the
 fact that the problem is not
 > due to a wrong functional in DALTON - i.e. a bug in the program when the
 results from the paper was
 > calculated or one which has emerged since.
 >
 > The problem is, however, that the B3LYP functional in Gaussian is not
 defined the same way as in
 > DALTON. In Gaussian the VWN3 local correlation functional is used while in
 DALTON the VWN5
 > functional is used by default. My question is now whether one can choose
 the VWN5 local correlation
 > functional in Gaussian instead of VWN3?
 >
 > Regards,
 >
 > Mikkel>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>;  
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