[molpro-user] Reg: Error Insufficient overlap

[Andy May]

Ganga,

Did you try the suggestions in this previous discussion?

http://www.molpro.net/pipermail/molpro-user/2007-July/002285.html

Best wishes,

Andy

Ganga Periyasamy wrote:
> Dear Molpro users,
> 
> I am trying to run diabatization calculation. I got the following error.
> I tried to decrease the THRVOL=1*d-8 but still i got the error message.
> 
> thank you
> Ganga
> 
>  Coefficients of singly external configurations greater than 0.0500000
>  =====================================================================
> 
>  2202020\000   2.7    -0.0494498  -0.0138987  -0.1577692  -0.3773307
>  2202020\000   3.7     0.0127445   0.0099832   0.0646710   0.0239802
>  22020\02000   5.1    -0.0007272   0.0049705   0.0380133   0.0633538
>  2\020/0200\   2.7    -0.0092366   0.0102576   0.0164434   0.0566751
> 
>  ? Error
>  ? Insufficient overlap
>  ? The problem occurs in cihdia
> :
> 
> 
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