LSINT problem
Konstantinos Koukounas
kkoukoun at chem.uoa.gr
Tue May 13 11:02:09 BST 2003
Dear molpro users,
trying to calculate the SpinOrbit integrals, i get the following error
message
************************************************************************************************************************
*** only quartet states, casscf
PROGRAM * LS (Author: P. Palmieri, 1989)
SPECIFIED COMPONENTS : X Y Z
?WARNING: TOO HIGH ADDRESS IN CORLSI: LT=******** IBASE=********
LTOP= 113390338 MEMSTACK= 153331433
SYMMETRIES OF SO OPERATORS: 3 2 4
164576032 TWO-ELECTRON SPIN-ORBIT INTEGRALS FOR X COMPONENT WRITTEN
OUT IN 20095 BLOCKS ON RECORD 1291.4
SYMMETRY ADAPTED ONE-ELECTRON SPIN-ORBIT INTEGRALS FOR X COMPONENT
WRITTEN ON RECORD 1700.1
ERROR EXIT
CURRENT STACK: MAIN
**************************************************************************************************************************
The basis sets used I am using comprise a total of 231 uncontracted
s,p,d,f functions.
I get a similar error message even when i don't give the LSINT card in
the input so as to reduce the needful disk space, although i have about
30GB of scratch space available.
Any advice would be helpful!
Konstantinos
Koukounas
More information about the Molpro-user
mailing list