Amir Nasser Shamkhali
amir_n_shamkhali@yahoo.com
Sincerely Yours
On Mon Aug 19 '13 0:38am, Alexey A. Popov wrote
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>wfn file will be a part of the PUNCH file, you should copy a section between the lines
>
>
>"----- TOP OF INPUT FILE FOR BADER'S AIMPAC PROGRAM -----"
>....
>"----- END OF INPUT FILE FOR BADER'S AIMPAC PROGRAM -----"
>
>
>to a separate filename.wfn file
>Best regards,
>Alexey
>------------------------------------------------------
>>Dear all
>>I want to create wfn file to use AIMAll program. I'm using AIMPAC=1 key in $CONTRL but there is not any wfn file in Firefly directory. What is wrong in my input?
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