GA ERROR fehler?
Scott Yockel
yockel at unt.edu
Tue Oct 7 17:46:43 BST 2003
I received the following error on a rather large coupled cluster single point
calculation before the the first SCF procedure had even started. What type of
error is this? What does it mean?
? Error
? mxbuck too small
? The problem occurs in outbck(sort1)
GA ERROR fehler
GA ERROR
0:0:fehler:: 0
Also is there a maximum basis function limit for SCF or CC calculations because
I'm at:
NUMBER OF PRIMITIVE AOS: 815
NUMBER OF SYMMETRY AOS: 621
NUMBER OF CONTRACTIONS: 507 ( 507A )
Scott Yockel
University of North Texas
Department of Chemistry
Masters Hall Room 12
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