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Re^4: Geometry optimization in two dimensions

Alex Granovsky


To freeze all Z coordinates you need to use:


where N is the overall number of atoms.

Is this what you meant?

Kind regards,
Alex Granovsky

On Thu Mar 6 '14 10:53am, pejer wrote
>Now the error found! There is a wrong format in IFREEZ.

>It should be


>rather than


>So, it is possible to freeze coordinates in cartesian.

>Thanks firefly!

>Best regards,

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