[DFTB-Plus-User] waveplot - Missing child: Geometry

R.Perez Garcia r.perez.garcia at student.rug.nl
Sun Oct 7 16:38:38 CEST 2012


Dear DFTB+ specialists,

I am trying to make waveplot work for my systems, but I believe I need your help to be able to do so.

I
 did modify the wfc.mio-1-1_wSi.hsd (as I am using mio but including Si 
from pbc) and included in the path so waveplot_in.hsd can find it.. and it does find. 

I have the geom.gem, the eigenvector.bin and the detailed.xml in the directory where I have copied waveplot_in.hsd. 

If I run the script to queue my job, the dftb_in.hsd is modified automatically and then I get an error in dftb_in.out
Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------
ERROR!
-> Missing child: Geometry
Path: dftb_in

I have all the atoms of my system described in the wfc.mio..., so, I have no clue what I should do.  Could you please give me a hint?

Thank you very much in advance.

Best regards: R





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