[DFTB-Plus-User] Problem with dftb+ skf files

[Bálint Aradi]

Dear Pasan,

please note, that the recipe examples expect the SK-files to be in a 
special location. Make sure to execute

./scripts/get_slakos

before you start with the examples there. See

https://dftbplus-recipes.readthedocs.io/en/latest/introduction.html#getting-slater-koster-data

for further details.

Best regards,

Bálint


On 05.01.22 07:00, Pasan Henadeera wrote:
> Dear users and developers,
> 
> I obtained the DFTB+ stable executable from the dftbplus.org 
> <http://dftbplus.org> website and extracted the archive on my computer. 
> When I execute the dftb+ program, as ./bin/dftb+, the program works and 
> asks for the *.hsd file as expected.
> 
> However, when I downloaded the recipes archive from the Read the Docs 
> page and tried to run the example "recipes/basics/firstcalc/" I got an 
> error that the skf files were missing. I rechecked the location of the 
> skf files, but the program still returns the same error message.
> 
> SK file '/***/basics/firstcalc/O-O.skf' does not exist'
> 
> Please advise me on what I am doing incorrectly.
> 
> 
> 
> Thank you
> -- 
> Best regards
> PBH
> 
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
> 


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/




-------------- next part --------------
A non-text attachment was scrubbed...
Name: OpenPGP_signature
Type: application/pgp-signature
Size: 840 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220105/281988f9/attachment.sig>