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Ga-OH2 system with ECP for Ga

Vladislav Ivanistsev
vladislav.ivanistsev@gmail.com

I'm trying to model a simple system Ga-OH2 using Lanl08 ECP for Ga and 6-31G for H and O. All basis sets are taken from https://bse.pnl.gov/bse/ Similar calculations for Hg-OH2 and Bi-OH2 have finished successfully. However, for Ga-OH2 the output states:

CONFUSION IN -HUCKEL- WITH ATOM=   1 NUCZ=  31 KIND= 1
NCORE,NVAL=  10   2 NDVAL=   1   3
NCECP=   5 NOTECP= F
LLIM,IULIM=   1   4 NEXTRA= -10 NEXTRA SHOULD BE 0

What could be the reason for the error?

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[ Ga_LANL2DZ.ecp ] ECP for Gallium atom

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