BSSE issue: atoms with ecp basis

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Hi,

I'm trying to run dft with BSSE correction.
Firstly, I wanted to test a simple system of Gd3+ and H2O interactions.
I seemed fine for the first four dft runs
such as [Gd3+--H2O], [G3+], [Gd3+--ghost H2O] and [H2O].

However, once it got to the point of calculation between H2O and ghost Gd3+,
it died with an error message of
"dft_inpana: negative no. of electrons ? -18".

I doubt that there are some problems in calculation with atoms with "ecp" basis,
since similar calculation with neutral or cationic Na has no problem in BSSE.

It would be very appreciated if someone helped this problem.





Input file ====================================
echo
title bssebq
start bssebq

scratch_dir ./scratch
permanent_dir ./scratch

charge 3
geometry noautoz
 symmetry c1
Gd 0.00257245 -0.01251597 -3.12708552
O -0.00109882 0.00155421 1.05737837
H 0.00208036 0.79190602 1.66072605
H -0.00355400 -0.78094426 1.67088586
end


basis "ao basis"
 Gd    library               "CRENBL ECP"
O library 3-21g
H library 3-21g
bqGd library Gd "CRENBL ECP"
bqO library O 3-21g
bqH library H 3-21g
end
ecp
 Gd    library               "CRENBL ECP"
bqGd library Gd "CRENBL ECP"
end


dft
xc b3lyp
odft
mult 8
iterations 500
tolerances tight
decomp
mulliken
end

driver
maxiter 200
end

bsse
 mon metal 1
charge 3

 mon water 2 3 4
input "dft\; mult 1\; end"
end

task dft optimize

================================


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