AO based DFT codes



Dear Suter:
 1) I have the DeFT code but I did not use it yet.
 2) From its manual and sample input and output it has many disadvantages.
    a) It dose not use the standard basis sets to make a comparison with the
       calculations at the SCF and MP2 levels.
    b) It dose not print the force fields and calculation of vibrational
       frequencies of isotopmers will require a separate job! which is
       definitaly a big disadvantage.
    c) It dose not allow to use the symmetry explicitly.
 3) I think the code from cadpac would be much better. I think the paper of
    amos  JPC, 1993 97, 4392  ( I hope I got the page number correct) will
    explain the advantages an the facilities of the DFT code implemented in
    the CADPAC program. We are tring to get the new version of the CADPAC
    program for this reason.
 Adel El-Azhary
 Cairo University