[DFTB-Plus-User] Use of "Identity" line in Detailed.xml by Waveplot

Kim, Joon (LT) jkim1 at nps.edu
Sat Mar 12 01:08:06 CET 2016

Dear DFTB+ users,

I am attempting to use waveplot to visualize the molecular orbitals for a DFTB optimized system.

However, I am getting the following error when calling waveplot:
     WAVEPLOT  0.3

Interpreting input file 'waveplot_in.hsd'
-> Invalid integer value
Path: detailedout/identity

I assume that it references the following lines in detailed.xml:

<?xml version="1.0" ?>

As the detailed.xml file is auto-generated by DFTB, and the type appears to be an integer, I am unsure what the problem is.

Any help would be greatly appreciated.

J. Kim
M.S. Student, Applied Physics
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