echo

start neb

geometry nocenter noautosym noautoz
load {{start_geometry}}
end

geometry endgeom nocenter noautosym noautoz
load {{end_geometry}}
end

basis {{basis}}
  * library {{theory_basis}}
end

dft
  xc b3lyp
  maxiter {{dft_maxiter}}
  cgmin
end

neb
   nbeads {{nbeads}}
   kbeads {{kbeads}}
   maxiter {{maxiter}}
   stepsize {{stepsize}}
end

task dft neb ignore