Hi,
Any my attempt to use CCSDT(2)_Q leads to the program crash as follows:
7 0.0000005387028 -0.0317705520981 0.0 0.1
8 0.0000001193286 -0.0317705890119 0.0 0.3
9 0.0000000276553 -0.0317705969197 0.0 0.1
--------------------------------------------------------
Iterations converged
CCSDT correlation energy / hartree = -0.031770596919673
CCSDT total energy / hartree = -2.886931076265849
Singles contributions
Doubles contributions
CCSDT Lambda iterations
---------------------------------------------
Iter Residuum Cpu Wall
---------------------------------------------
Example input:
echo
start nw
memory stack 450 mb heap 100 mb global 900 mb
charge 0
geometry
He -5.71316000 -0.37225000 0.00000000
end
basis spherical
* library def2-svp
end
scf
maxiter 200
end
TCE
CCSDT(2)_Q
freeze atomic
end
task TCE energy
Could you be so kind as to help with this?
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