[DFTB-Plus-User] Problem with Driver = Geometry-optimization

[Mohammadamir Bazrafshan]

Dear Pascal,

As a user I found that DFTB+ allows you to specify the parser version
through the ParserOptions block, like this:

ParserOptions = {
  ParserVersion = 9
}

However, be careful: using examples from the latest manual with an old
parser version might cause errors or unexpected behavior. Always make sure
that the input parameters match the parser version that you are using.

If you're not using an old version on purpose, it's best to remove the
ParserOptions block and let DFTB+ use the latest parser by default.

Regards,
Mohammadamir Bazrafshan

Dear Developper,
> I got the following error message
> ###############################
> Reading input file 'dftb_in.hsd'
> Parser version: 9
>
>
> --------------------------------------------------------------------------------
> Reading SK-files:
> Done.
> ERROR!
> -> Invalid driver 'GeometryOptimization'
> Path: dftbplusinput/Driver
> Line: 5-11 (File: dftb_in.hsd)
> ##############################
>
> But the code lines are simply like the basics example :
> Driver = GeometryOptimization {
>    Optimizer = Rational {}
>    MovedAtoms = 1:-1
>    MaxSteps = 100
>    OutputPrefix = "geom.out"
>    Convergence {GradElem = 1E-4}
> }
>
> thanks alot for the help.
> Pascal
> PS I am new to DFTB+.
>
>
> --
> Pascal Brault
> Directeur de Recherche CNRS
> Associate-Editor European Physical Journal Applied Physics (EPJ AP)
> GREMI UMR 7344 CNRS Université d'Orléans
> + 33 2 38 41 71 25
> https://www.univ-orleans.fr/gremi/pascal-brault
> https://cv.hal.science/pascalbrault
> https://www.epjap.org
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