[DFTB-Plus-User] plotting charge transfer and format error in "wfc.3ob-2-1.hsd" file

[Bálint Aradi]

Dear Sharma,

> I have  added the coordinates and the number of atoms to the cube files
> manually. It worked properly.

Cubemanip gives indeed a *warning*, if the geometries do not match, but
should work nevertheless. It refuses to work, however, if the grids are
not compatible (you do not have the same origin, the same grid vectors
and the same number of grid points along each direction). In latter
case, any operation between grid points is questionable.

  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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 819 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20150312/49f50a1b/attachment.pgp>