soumenchem / semiemp Goto Github PK

Can I know which basis set is the most accurate one in nwchem_semiemp?

It appears nwchem_semiemp uses CNDO, INDO/1, MNDO, AM1, and PM3.
Since I can’t find “PM5” in semiemp code, can I assume that the most accurate one is PM3?

However,
when I specified

echo

start NCAA
title NCAA

memory total 128 gb
basis "ao basis" spherical print
  *  library PM5
end

semiemp
  mult 1
  apx PM5
  scftype rhf
end

driver
  maxiter 50
  xyz opt
end

charge 0
geometry noautoz units angstrom nocenter autosym
  load 1uao_Chignolin_MODEL_1_sc_H_to_I.pdb
end

task semiemp optimize

output.out shows

APPROXIMATE HAMILTONIAN=PM5

So PM5 is the most accurate one?