[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
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