Error in input file:

Click here for full thread

Clicked A Few Times

12:22:22 PM PDT - Mon, Apr 29th 2013

Hi all,

I started using the NWChem last weekend.

I have some doubts about that rode an input for the Au (segui o exemplo de h2o.nw)

start Au01
title "Au01 atom - classical"

geometry units angstroms

symmetry d2h

 Au     0.00000000    0.00000000    0.00000000

end

basis spherical

 Au library lanl8dz

end

scf

 NOPEN 1

end

task scf

and error:

------------------------------------------------------------------------

atomscf:atomd: error in atom scf        0

------------------------------------------------------------------------

------------------------------------------------------------------------

 current input line :

   17: task scf

------------------------------------------------------------------------

------------------------------------------------------------------------

This error has not yet been assigned to a category

------------------------------------------------------------------------

For more information see the NWChem manual at

http://nwchemgit.github.io/index.php/NWChem_Documentation