CCL:G: CASSCF error in G03
- From: "Vera Cathrine"
<vera.cathrine-x-yahoo.com>
- Subject: CCL:G: CASSCF error in G03
- Date: Thu, 26 Jan 2012 12:05:54 -0500
Sent to CCL by: "Vera Cathrine" [vera.cathrine(0)yahoo.com]
Dear CCL Users,
I am running a casscf calculation in G03 and my route section is as following. I
just read orbitals from a previous CAS(14,13) calculation and altered two
orbitals. The reason is that I want to reduce the cas space from 1413 (full
active space ) to reduced one 1212.
#p casscf(12,12)/3-21g nosymm geom=connectivity guess=(read,alter) pop=full
But I got this kind of error in l401:
(Enter /home/mdavari/g03/l401.exe)
Initial guess read from the checkpoint file:
input.chk
Guess basis will be translated and rotated to current coordinates.
Unexpected end-of-file while reading orbital switches.
Error termination via Lnk1e in /home/vcathrine/g03/l401.exe at Thu Jan 26
17:48:28 2012.
Could anybody tell me why this kind of generic error occurs?
Thank you in advance,
Regrads,
Vera