From bahraoui%!at!%cica.es  Fri Feb 13 08:11:41 1998
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Date: Fri, 13 Feb 1998 14:04:02 +0100 (MET)
From: Jaouad El Bahraoui <bahraoui ":at:" cica.es>
Reply-To: Jaouad El Bahraoui <bahraoui ^%at%^ cica.es>
To: chemistry {*at*} www.ccl.net
Subject: stuttgart ECP to Gaussian
Message-ID: <Pine.HPP.3.94.980213135725.2969B-100000 ^%at%^ asterix.cica.es>
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Hola a todos!

I would appreciate if somebody can give me some help in how can I change
the stuttgart Pseudopotencials format to the pseudopotencial Gaussian
format

many thanks.

ECPs for: Ag
      
Ag s ECP28MWB : 8 1 1.3
 (8s7p6d)/[6s5p3d]-Basissatz zu PP. von Ref 12.
   9.0884420   7.5407310   2.7940050   1.4801580
   0.6538510   0.1244880   0.0492640   0.0160000
  -1.9648132   2.7332194   0.1991148
Ag p ECP28MWB : 7 2 1.2 3.4
 (8s7p6d)/[6s5p3d]-Basissatz zu PP. von Ref 12.
   4.4512400   3.6752630   1.2912880   0.6525780
   0.3670360   0.0756940   0.0237230
  -6.0833780   6.4168543   0.7539735   0.2730597
Ag d ECP28MWB : 6 1 1.4
 (8s7p6d)/[6s5p3d]-Basissatz zu PP. von Ref 12.
   7.9947300   2.7847730   1.2097440   0.5053930
   0.1988510   0.0660000
  -0.0163876   0.2814107   0.4863264   0.3867258
*(***** end *******


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           +---------------------oOO--(_)----------------------------+
           |             Jaouad El-Bahraoui , Ph.D                   |
           +---------------------------------------------------------+
           | GMDM                       | Tel/Fax +34-58-243186      |
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           | Universidad de Granada     | bahraoui-!at!-cica.es           |
           | Granada, Spain             | http ://www.ugr.es/~jaouad/|
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