Spartan questions summary

[Konstantin Momot <momot' at \`iris5.chem.Arizona.EDU>]

 Hello everybody,
 yesterday I posted 2 questions about Spartan.  A large number of people
 responded; my thanks to all of them.  The original questions and summary of
 replies follow.
 Cheers
 --
 Konstantin Momot
 momot' at \`iris5.chem.arizona.edu
 http://aruba.ccit.arizona.edu/~momot/research.html
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 1)   "How to start a Spartan job from a non-graphical terminal ?"
 The proper command is
 spartan -x jobname &
 One needs not worry about the Spartan path or env. variables.  Do not use
 sp_abinitio etc.; spartan will take care of that.  jobname should be a
 directory containinng files _spartan, input, and propin.  They can be
 created from either interactive version by setting up (but not submitting)
 a job, or by a text editor if you know the proper format.
 In an unlikely case when you start interactive Spartan by a command other
 than spartan, you probably need to use that command instead:
 interactive-spartan-alias -x jobname &
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 2) "Why PURED keyword did not work on Fe atom with 3-21G ?"
 As I was told, the keyword was intended to work on diffuse functions of
 main group elements, but not on d-elements.  This does not apply to
 STO-3G, where PURED will work with d-elements.
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