[DFTB-Plus-User] (no subject)

101981000 jahanshahloo.h at gmail.com
Sat May 21 17:09:44 CEST 2022


I get an scc error in optimizing a TiO2 nanoparticle using dftb and xTb.
Could you please help me. I have attached the input files.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220521/02563861/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dftb_in.hsd
Type: application/octet-stream
Size: 363 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220521/02563861/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: TiO2_rutile_6A_sphe.xyz
Type: application/octet-stream
Size: 3078 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220521/02563861/attachment-0003.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: photo_2022-05-21_19-37-10.jpg
Type: image/jpeg
Size: 80603 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220521/02563861/attachment-0001.jpg>


More information about the DFTB-Plus-User mailing list