[molpro-user] Cs so-calculation

[Km. Ohtsuki]

Dear molpro-users,

I'm trying to calculate spin-orbit interaction of Cs with
the following input file. But I have an error message,
"ECPLSX not found".
For similar calculation of Xe+, the calculations were
finished with no error messages.
Main diffirence is ECP. I use ECP_MWB for Cs, and ECP_MDF
for Xe+.

Thanks for your help,

Km Ohtsuki,
Univ. of Electro-Communicatios, Tokyo, Japan

/*---------------------- from here ---------------------*/
***,Cs with ECP
basis
ecp,Cs,ECP46MWB;
s,Cs,ECP46MWB;
p,Cs,ECP46MWB;
end
gprint,orbital
geometry
X,Y
Cs
end
rhf;wf,9,1,1
multi;occ,4,2,2,0;closed,1,0,0,0;wf,9,1,1;state,2;wf,9,2,1;wf,9,3,1
ci;wf,9,1,1;noexc;state,2;save,3011.2
ci;wf,9,2,1;noexc;save,3021.2
ci;wf,9,3,1;noexc;save,3031.2
ci;hlsmat,ecp,3011.2,3021.2,3031.2;options,hlstrans=0
print,vls=1
/*------------------ end of input file -------------------*/