Input Block 'String'

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  • Bylaska Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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The basic input for NEB looks like

echo
start ch4_neb_dat

permanent_dir ./permh
scratch_dir ./permh


basis
 * library 3-21G
end



scf
end


neb
  maxiter 200
nhist 15
xyz_path ./jjj.xyz
print_shift 1
end

task scf neb ignore


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