optimization with light atoms

Click here for full thread

Gets Around

12:54:24 PM PDT - Mon, Sep 29th 2014

I can not get the optimization with light atoms. I think that this is a numerical effect, but I could not find an option for a more accurate calculation. For example:

echo
start nw
charge 0

geometry   
      He  -8.67636000  -0.30490000   0.00000000   # 1
      He  -5.71316000  -0.37225000   0.00000000   # 2
end 

basis spherical
 * library cc-pvtz
end 

scf 
 maxiter 1000 
end 

dft 
 cgmin 
 xc pbe0
 disp vdw 3 
end 

driver 
 clear 
 TIGHT
 eprec   1e-06
 maxiter 2000
end 

task DFT optimize