DPlot: movecs read header failed
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Forum Vet
3:23:54 PM PDT - Tue, Jul 22nd 2014
Please remove the keyword "fragment" from your vectors input lines as shown below
dft
xc b3lyp
iterations 999
vectors output Pd3Ni5_M01.movecs
end
dplot
TITLE HOMO
vectors Pd3Ni5_M01.movecs
LimitXYZ
-3.0 3.0 10
-3.0 3.0 10
-3.0 3.0 10
spin total
gaussian
output Pd3Ni5_M01.cube
end
task dft
task dplot