DOES NOT OVERLAP SUFFICIENTLY - ERROR

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Gileadc

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Jul 8, 2021, 7:47:36 AM7/8/21
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Dear all,

I am trying for some time using the MRCI method for calculations of excited states. but every time I am using this method I am getting this error:
"CI VECTOR FOR STATE # DOES NOT OVERLAP SUFFICIENTLY WITH REFERENCE VECTORS"
How do I solve this issue? what is the origin of this error and how do I avoid it?
I am trying to increase the NSTATI number, but it does not work, and I do not fully understand what exactly does it do.

here is an input file example

***,K2
MEMORY,1,G    
geometry={K1;K2,K1,r}
basis=cc-pVQZ

r = 10
hf

dr=0.5
i = 1 
do r=8,20,dr

{CASSCF;
Closed,5,2,2,0,5,2,2,0;
Occ,8,3,3,2,8,3,3,2;
wf,38,1,0;state,12;
wf,38,4,0;state,12;
}
{MRCI;
wf,38,1,0;ref,4;state,8;
}

do j=1,8,1
e(8*(i-1)+j) = energy(j)
enddo

rr(i)=r
i = i + 1
enddo

{table,e
save,K2_e_MRCI_1_ref4.txt}

{table,rr
save,K2_r_MRCI_1_ref4.txt}
---

Thanks in advance for any help
Gilead
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