[molpro-user] SAPT in monomer basis
Attila Bende
attlbende at gmail.com
Sat Oct 26 15:26:20 BST 2013
Dear Molpro users,
Can I run the monomer calculations in their monomer basis set in the SAPT
module of Molpro?
I tried it, but I got an error:
Transform atomic integrals
==========================
?ERROR IN GET_INFO: RECORD 2101.2 CONTAINS WRONG BASIS DIMENSION:
117 0 0 0 0 0 0 0
GLOBAL ERROR fehler on processor 0
Thanks in advance
Attila
--
Dr. Bende Attila (PhD)
Senior Researcher I
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National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.65-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 194, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
http://www.researcherid.com/rid/A-6539-2008
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