I am experiencing this error when i run the code below:
dpinput:rtdbget failed 11
------------------------------------------------------------------------
An error occured in the Runtime Database
dpinput:rtdbget failed 11
I am not sure what the problem is. Any suggestions?
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title "DFT B3LYP_LANL2DZ Pd1Ni7"
start Pd1Ni7
permanent_dir /student/chemistry/shenna/MODEL/Pd1Ni7/M05/tmp1
scratch_dir /student/chemistry/shenna/MODEL/Pd1Ni7/M05/tmp1
echo
geometry units angstrom noautoz autosym
Ni 0.81003009 -0.74759421 1.22299901
Ni -0.71289628 1.16146550 1.78909538
Ni 1.71631594 1.55683625 1.56001402
Ni 0.20320851 2.06194776 -0.36365366
Ni 2.03177248 0.41039896 -0.59056008
Pd -1.11334177 -0.14467525 -0.37065233
Ni 0.80170090 -1.64929095 -1.13591600
Ni 0.33166181 0.52715065 -2.36502838
end
ecce_print /student/chemistry/shenna/MODEL/Pd1Ni7/M05/ecce1.out
basis
Pd library "LANL2DZ_ECP"
Ni library "LANL2DZ_ECP"
end
ecp
Pd library "LANL2DZ_ECP"
Ni library "LANL2DZ_ECP"
end
driver
clear
maxiter 999
xyz final
end
dft
iterations 999
xc B3LYP
disp vdw 3
mulliken
print "mulliken ao"
end
task dft optimize
task dplot
property
all
end
task dft property
task freq numerical
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