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Re: temperature keyword

sanya
sanya@photonics.ru

All the temperatures are in Kelvins. Just enter the number (say, $force temp=enter_the_number_here $end
Note that the $force group is relevant only when hessian is calculated (RUNTYP=HESSIAN, OPTIMIZE, SADPOINT; the latter two require hssend=.t.)

On Mon Jan 18 '10 2:42pm, Siavash Riahi wrote
---------------------------------------------
>hi
>I have a problem with initial temperature in input file.I don`t know how to insert 80C or 378K keyword in input file.
>could anyone help me?
>kind regards

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