Thanks for your attention,
1. ~ 10 atoms :
-- GRADIENT OUT OF RANGE
-- MAXIMUM ALLOWED FORCE (FMAXT) = 10.000" as I discussed before has remained yet.
Attached please find the 1.inp file.
2. ~ 200 atoms :
the linear dependence error has remained yet.
there are many papers that they have used these basis sets for carbon and hydrogen using Gaussian.
Attached please find the 2.inp file.
I appreciate your help in advance.
On Wed Jan 12 '11 3:30pm, sanya wrote
>Just remove diffuse functions on inner atoms and leave them only on peripheral atoms. You'll have something like 6-31+G* on peripheral hydrogens (* in case of hydrogens means polarization p functions) and 6-31G* on carbons (here, * means polarization d functions). Diffuse functions on inner atoms cause linear dependence. Can I look at your molecule (*.inp or *.xyz file) to tell you more definitely which atoms should have diffuse functions?
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