TURBOMOLE Users Forum

TURBOMOLE Modules => Aoforce and Numforce => Topic started by: smky77 on April 28, 2008, 04:57:01 PM

Title: problems with NumForce for excited states
Post by: smky77 on April 28, 2008, 04:57:01 PM

Hi,
I was calculating vibrations with NumForce for first excited state. I have got a list of Frequencies but I have got no hessian.
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CALCULATION OF HESSIAN

FORTRAN STOP

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any ideas? I will appreciate any help