[molpro-user] Reg: Print Dipolemoment

[Terry Frankcombe]

I don't see any warnings.  I see some XML, so presumably this was from
the xml file, but where's the warning?


On Sat, 2009-08-08 at 11:05 +0200, Ganga Periyasamy wrote:
> Dear Sir,
> 
> 
> I tried to print the dipole moment in Multi calculations, where i got
> the following warning.  I dont understand what it means. Could you
> please kindly help me to understand this.
> 
> 
> !MCSCF trans         <1.4|DMY|5.2>     0.178822774554 au =
> 0.454492387352 Debye
>  !MCSCF trans         <1.4|DMY|6.2>     0.407231134992 au =
> 1.035010508072 Debye
>    --><property name="DMY" method="MCSCF" principal="true"
> braStateSymmetry="4"
>      braStateNumber="1" ketStateSymmetry="2" ketStateNumber="6"
>      value="0.407231134991723" origin="0.0 0.0 0.0"/><!--
>  !MCSCF trans         <1.4|DMY|7.2>     0.467576206713 au =
> 1.188382335457 Debye
>  !MCSCF trans         <1.4|DMY|8.2>    -0.133757839712 au =
>  -0.339956250254 Debye
> 
> 
> Thank you
> Ganga
> 
> 
> 
> 
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