stepper xyz

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Nov 18, 2020, 4:04:35 PM11/18/20

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Hello,

I would like to get converged xyz file from the geometry optimization, I set this input:

stepper

maxiter 50

xyz HD_geomstepper_ccpvtz

end

but got this error below. Do I have to obtain xyz coordinates of converged system manually from the output ?

Best, Miro

------------------------------------------------------------------------

stepper_input: fatal error 911

------------------------------------------------------------------------

current input line :

24: xyz HD_geomstepper_ccpvtz

------------------------------------------------------------------------

There is an error in the input file

------------------------------------------------------------------------

For more information see the NWChem manual at

For further details see manual section:

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Nov 18, 2020, 4:21:19 PM11/18/20

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Stepper has no xyz option, only driver does

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