Subject: Spartan questions summary

From: Konstantin Momot <[email-masked]>
Date: Thu, 26 Sep 1996 12:14:36 +42000

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

[email-masked]  
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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