07 July 2024 0 4K Report

I am calculating MD simulation of the system using following keywords:

%mem=1400MB

# wb97xd/6-31g(d) geom=(connectivity,crowd) admp=(maxpoints=4000,fullscf)

integral=ultrafine iop(1/73=100000,1/80=1000000,1/81=5,1/82=400,1/89=50)

For temperature 100K and 300K no error is coming, while for 400K above error is coming. Please help me

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