[molpro-user] Problem with SAPT

Yulia Kalugina amora at list.ru
Thu Apr 8 13:53:20 BST 2010


Dear Molpro community,

I have a problem with running SAPT for (c2h4)2 with AVTZ basis set. for VXZ, AVDZ it goes well.

What could be the problem? The output file is attached.

best regards, Yulia
-------------- next part --------------
A non-text attachment was scrubbed...
Name: c2h4dimer_g3_r0a0.out
Type: application/octet-stream
Size: 12262 bytes
Desc: not available
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100408/16e7d589/attachment.obj>


More information about the Molpro-user mailing list