[molpro-user] CI with more than 10 states

[Jacky LIEVIN]

Dear users,

I'm trying to run a CI calculation with more than 10 states with  
molpro2006 (patchlevel=85).
It seems that the default limit is 20 but the following error occurs  
for a CI (state=11)

  Number of optimized states: 11  Roots:   1   1   2   3   4   5    
6   7   8   9

Number of optimized states:  2  Roots:
Number of reference states: 10  Roots:   2   3   4   5   6   7   8    
9  10  10
STATE SPECIFIED TWICE

ERROR EXIT
CURRENT STACK:      CIINP  CIPRO  MAIN

Note that the casscf converges properly in this example
The CI is ok for state=10

***, HeH+
memory,100,m

gprint,basis;

geometry={he;h,he,rr}

BASIS
spdfg,He,av5z;c
s,he,99.181545,10.536516,1.905592,0.424822,0.029920 !pour la 2s
c,1.5,0.00276,0.030509,0.196191,0.775469,-3.72247   !coeff contraction
p,he, 
19.984152,4.739990,1.021806,0.292204,0.101345,0.039590,0.016351  ! 
pour la 2p
c,1.7,0.000152,0.002135,0.025319,0.160069,0.592704,1.066547,0.527114
spdfg,H,av5z;c
s,h,16.419843,1.458436,0.251889,0.01975
c,1.4,0.025826,0.319860,1.429439,-3.759419
p,h,3.101143,0.56727,0.158596,0.052537,0.020001
c,1.5,0.005698,0.067894,0.407521,1.082414,0.800233
END
rr=10
rhf;
{multi;
occ,6,2,2,0;
wf,2,1,0;state,2;lquant,0,0;
maxiter,20; }
{multi;
occ,6,2,2,0;
wf,2,1,0;state,4;lquant,0,0,0,0}
{multi;
occ,6,2,2,0;closed,0,0,0,0;
wf,2,1,0;state,6;lquant,0,0,0,0,0,0}
{multi;
occ,10,4,4,1;closed,0,0,0,0;
wf,2,1,0;state,11;
lquant,0,0,0,0,0,0,0,0,0,0,0;
maxiter,20}
{multi;
occ,16,6,6,4;closed,0,0,0,0;
wf,2,1,0;state,11;lquant,0,0,0,0,0,0,0,0,0,0,0}

{ci;
occ,16,6,6,4;
wf,2,1,0;state,11}
---

Could somebody help me?
Thanks in advance

Jacky


_____________________________________
Jacky Liévin
Service de Chimie Quantique et Photophysique
Université Libre de Bruxelles, CPi 160/09
50 av F.D. Roosevelt
B-1050 Bruxelles
Belgium
Tel: +32-2-650 4089
Fax: +32-2-650 4232
_____________________________________