[molpro-user] Asking your help for calculating the transition dipole moment

[Ricardo Mata]

Dear Rana,

You need to allocate the two files in order to access their records. Afterwards, use the file number to selectively access the records in the files.

You should have something like

file,2,first_file.wfu
file,3,second_file.wfu

then use 6000.2 to access record 6000 in first_file.wfu and 6030.3 to access record 6030 in second_file.wfu.

Best wishes,
Ricardo

On Oct 22, 2011, at 7:22 PM, Rana Zahdeh wrote:

> Hi,
>  
> I need to calculate the transition dipole moment between two states saved in different record numbers. I used the following command:
>  
> {ci;trans,6030.2,6000.2;
> dm,8130.2} 
>  
> The problem is that the record 6000.2 is calculated in another output file, in the same directory where I’m doing my calculations.    
> The error that I receive is that it doesn’t find this record.
>  
> Will you please help me to know how to enable it to read this record?
>  
> Thanks in advance,
> Rana.
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