[CP2K:2650] Re: am i able to freeze atoms in geo opt?

Teodoro Laino teodor... at gmail.com
Thu Apr 1 11:24:58 CEST 2010


There is a typo error:


>   &CONSTRAINT
>    &FIXED_ATOMS
>     LIST 1 2 4
>     &LIST
>   
^^^^^^^^^^^^^^
>    &END
>   &END CONSTRAINT
>  &END MOTION
>   

Please remove &LIST which does not make any sense...
Teo



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