CCL:G: G03 Error in (U)CCSD/aug-cc-pVDZ calculation
- From: "N Awasthi" <neha.awasthi()gmail.com>
- Subject: CCL:G: G03 Error in (U)CCSD/aug-cc-pVDZ calculation
- Date: Tue, 7 Apr 2009 12:04:37 -0400
Sent to CCL by: "N Awasthi" [neha.awasthi++gmail.com]
Hello,
I always get errors while I try to perform the following CCSD-T calculation with
G03. I have already optimized the structure on lower levels of theory.
The B3LYP part (1st one) is completed without errors. See the input file below.
The .chk file name is correct, and it exists in the dir.
Here is the error in the UCCSD part:
====================================================================
NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-NEF-
NUMERICAL EIGENVECTOR FOLLOWING MINIMUM SEARCH
INITIALIZATION PASS
FileIO operation on non-existent file.
FileIO: IOper= 2 IFilNo(1)= -507 Len= 260004 IPos= 0 Q=
6588608