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Re^7: Hessian Calculations

Alex Granovsky
gran@classic.chem.msu.su


Hi,

>I've done it and the following error have appeared:
>// ...
>IVIB=   2 IATOM=  30 ICOORD=   3 E=    -5313.1191437233
> **** ERROR, EXPECTING IVIB,IATOM,ICOORD=         2        31         1
>                    GOT JVIB,JATOM,JCOORD=         0         0         0
> INSPECT YOUR $VIB GROUP.
>//
>How can I use this option if the previous run was terminated on a step of calculation for IVIB=   2 IATOM=  30 ICOORD= 3?

Did you add the $end keyword at the end of $vib group?

Regards,
Alex Granovsky




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