[DFTB-Plus-User] (no subject)

veerpal kaur dhiman v.veerpal.h at gmail.com
Tue Sep 9 10:14:42 CEST 2014


Dear sir,

I am trying to plot density of states of Tio2 by using the input as given
in dftb+ recipes. But i am getting the error (from dptools/bin/dp_dos) as
given below :

Traceback (most recent call last):
  File "/home/gagan/dptools-0.1p3/bin/dp_dos", line 8, in <module>
    import numpy as np
ImportError: No module named numpy


But when i used the "dp_dos" file by putting "#" on line "import numpy as
np" (means by removing the line "import numpy as np") then i got the error:

Traceback (most recent call last):
  File "/home/gagan/dptools-0.1p3/bin/dp_dos", line 9, in <module>
    from dptools.bandout import BandOut
ImportError: No module named dptools.bandout

I have installed numpy in my system . Dptools are also installed. I have
also set the PYTHONPATH variable by giving the commands  as given in README
file of Dptools as shown below :

export PATH=$PATH:/home/gagan/dptools-0.1p3/bin
  export
PYTHONPATH=$PYTHONPATH:/home/gagan/dptools-0.1p3/lib/python2,7/site-packages

I am trying to remove this error from two weeks but nothing happened. I am
new to linux and dftb+. No one in my department is using dftb+ so no one
knows the solution of this error. Please tell me any solution of this
problem.

I will be very thankful to you.

Veerpal Kaur,
Physics Department,
Panjab University,
Chandigarh.
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