[DFTB-Plus-User] Unable to get "DFTD3" installed.

[siddheshwar chopra]

Dear Sir,
Thank you so much Sir for your detailed advice. I will try them and once
installed will let u know.
Only one doubt still. If I compile alongwith the dftd3, then will I get the
dftb+ executable which includes dftd3 straightaway? Then what is the
purpose of dftd3 executable which I just generated separately?
Please pardon me if the question is too simple.

Regards,

On Tue 17 Apr, 2018 8:40 pm Bálint Aradi, <aradi at uni-bremen.de> wrote:

> You have two options:
>
> * Either download dftd3 with the get_opt_external tool and set
> COMPILE_DFTD3 := 1, so that the library is built when the DFTB+ is
> built. This is the recommended way.
>
> * Alternatively, if you already compiled libdftd3, you can set
> COMPILE_DFTD3 := 0, and make sure, that DFTD3_INCS includes (with -I)
> the folder, where the *.mod files of dftd3 can be found and DFTD3_LIBS
> links the libdftd3.a from the proper location. This is not recommended,
> unless you are skilled in compiling and linking codes on your own.
>
> > # Set the compile time include and the link time library options for
> > # dftd3-lib. Ignored if WITH_DFTD3 has been disabled or COMPILE_DFTD3
> > enabled.
> > DFTD3_INCS := -I /DFTB+/dftd3-lib-master/prg
> > DFTD3_LIBS := -L /DFTB+/dftd3-lib-master/lib -ldftd3
>
> -I needs the path, where the mod-files are.
>
> But I really recommend, that you try to find somebody in your local
> environment, who is experienced with compiling and linking codes, as
> given step by step advices remotely is very difficult, while somebody
> skilled could probably solve your problems in 5 minutes locally.
>
>   Best regards,
>
>   Bálint
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
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