Hey,
I am doing dynamics on model system and I am getting an error like
SCF failed running rest.scf script
Resetting Diis
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task_energy failed 555
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This error has not yet been assigned to a category
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For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
task_energy failed 555
------------------------------------------------------------------------
this is my nwchem input file
start
charge +0
print none
Basis spherical
END
scf
uhf
doublet
maxiter 2000
end
dft
odft
mult 2
iterations 2000
xc pbe0
print none
end
SET task:theory dft
can anyone suggest me what manupulations i need to do in my input file .
Thank you
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