[CPMD-list] constraint force in file CONSTRAINT

[Jan-Willem Handgraaf]

On Friday 27 December 2002 09:44, chenghuiqc wrote:
> Dear cpmd-list all,
>   I want to know does the file CONSTRAINT in cpmd contains any information
> about the force on the constraint, or are there other methods to produce
> the result the force on the constraint.

Dear Chenhui,

Yes, 'CONSTRAINT' contains the force and the value of the constraint both in 
a.u.

Jan-Willem



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Jan-Willem Handgraaf
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