CCL:G: Gaussian09: Reading Checkpoint of a Previous Claculation

 Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal
 [victor|,|fluor.quimica.uniovi.es]
 On Fri, Apr 17, 2015 at 05:08:09AM -0400, Puneet Gupta puneetg.iitk^^^gmail.com
 wrote:
 >
 > Sent to CCL by: "Puneet  Gupta" [puneetg.iitk!=!gmail.com]
 > Dear all,
 >
 > I know that how to restart a new optimization calculation using checkpoint
 file of a previous calculation in gaussian09. The usual keywords in the command
 line should be: opt(readfc) guess=read geom=check. But, these keywords always
 read the final step of the previous calculation and start a new calculation from
 the last point. My question is that if I don't want to read the last step of the
 previous calculation but some other step then what would be the keywords in the
 command line?
 Puneet,
 1) Let me doubt that that is posible in an easy way.
 2) If you only need to start from an intermedate geometry of your
    optimization there are codes that show them and some are capable of
    write down the input for the program.
 3) If your intention is keeping the orbitals, the gradient, the hessian
    on an intermediate stage, that is a huge amount of information to
    keep and no programmer (I think) would work on that way.
 Regards,
         Dr. Víctor Luaña
 --
      .  .    DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
     / `' \   "I think the problem, to be quite honest with you,
    /(o)(o)\  is that you have never actually known what the question is."
   /`. \/ .'\
  /   '`'`   \ "Lo mediocre es peor que lo bueno, pero también es peor
  |  \'`'`/  | que lo malo, porque la mediocridad no es un grado, es una
  |  |'`'`|  | actitud"
   \/`'`'`'\/          -- Jorge Wasenberg, 2015
 ===(((==)))==================================+=========================
 ! Dr.Víctor Luaña, in silico chemist & prof. ! Mediocre is worse
 than
 ! Departamento de Química Física y Analítica ! good, but it is
 also
 ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because
 ! e-mail:   victor*fluor.quimica.uniovi.es   ! mediocrity is not a grade,
 ! phone: +34-985-103491  fax: +34-985-103125 ! it is an attitude
 +--------------------------------------------+
  GroupPage : http://azufre.quimica.uniovi.es/
              (being reworked)