NBO 5

NBO5 Natural Bond Orbital programa.

Gaussian 03 eta gamess US (VERSION = 12 JAN 2009) ekin erabili daiteke.

Gaussian03
Edozein gaussian kalkulu bezala exekutatu behar da.
Gamess US
script send_gamess_nbo scripta sortu dugu:

  • send_gamess_nbo INPUT TIME MEM
    INPUT is the gamess+NBO input
    TIME is the time requested for the claculation in 00:00:00 format
    MEM is the memory in gb

Manuala eta Tutorialak.