Input Block 'String'


Click here for full thread
Gets Around
9:30:24 AM PST - Wed, Jan 16th 2013
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