[DFTB-Plus-User] issue on PDOS

Ari a.tra35 at gmail.com
Wed Feb 27 13:52:59 CET 2019


Hello!

I'm a new user of dftb+ (version 18.2). While running dp_dos I receive the
following error. Looking forward to understanding the cause of the error.
Thanks!

PS: Input files 'dftb_in.hsd' and 'str1. <http://str1.xyz>gen' files are
enclosed.

Ari

------------

xari at master 11]$ dp_dos -wv pdos.N.2.out pdos.N.2.dat

Traceback (most recent call last):

  File "/home/xari/.local/bin/dp_dos", line 212, in <module>

    main()

  File "/home/xari/.local/bin/dp_dos", line 130, in main

    bandout = BandOut.fromfile(infile)

  File "/home/xari/.local/lib/python2.7/site-packages/dptools/bandout.py",
line 91, in fromfile

    nkpt = len(eigvalarrays) // nspin

ZeroDivisionError: integer division or modulo by zero


------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190227/b71361c0/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: str.gen
Type: application/octet-stream
Size: 6403 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190227/b71361c0/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dftb_in.hsd
Type: application/octet-stream
Size: 774 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20190227/b71361c0/attachment-0001.obj>


More information about the DFTB-Plus-User mailing list