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.