[DFTB-Plus-User] calculation with 3ob-freq-1-1

[Richie]

hi bálint,

> Dear Richie,
> 
>> dear dftb+ team,
>> i tried to start frequency calculations with 3ob-1-1 slater koster
>> files. then i found out, that there is a 3ob-freq-1-1 set, especial for
>> vibrational analysis. but the files are called *.ske and do not fulfill
>> the slater koster files standards.
>> how can one use these extension parameters?
> 
> I am not sure, where you get this parameters from. When I download the
> file 3ob-freq-1-1.tar.gz from the website and extract it, I get normal
> SK files with .skf suffix.

these files where added to the adf code. you can have a look:
http://goo.gl/EpDnG7 - i put them into one zip file. also the included
readme file gives no explanation gives no hint how to use these sk files.

> 
>   Cheers,
> 
>    Bálint

tarah! richie

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