Alexey Markin
markinav2013@gmail.com
Best regards, Alexey Markin
On Mon Aug 19 '13 3:03am, Amir Nasser Shamkhali wrote
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>Dear Alexey
>Thanks for your attention. I cannot see your mentioned lines in PUNCH file. I attach my input and out files.
>Sincerely Yours
>On Mon Aug 19 '13 0:38am, Alexey A. Popov wrote
>-----------------------------------------------
>>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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