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General Questions and Answers / 'ProjectedDensityOfStates' is not defined

« on: June 1, 2017, 14:58 »

on top of this existing tutorial:  http://docs.quantumwise.com/tutorials/intro_vnl_atk1/intro_vnl_atk1.html


I treid to add the PDOS ProjectedDensityOfStates(  from the vnl.  However, after running in with the atkpython, I got the following error.
  1 Traceback (most recent call last):
  2   File "SiC.py", line 79, in <module>
  3 Traceback (most recent call last):
  4   File "SiC.py", line 79, in <module>
  5 Traceback (most recent call last):
  6   File "SiC.py", line 79, in <module>
  7 Traceback (most recent call last):
  8   File "SiC.py", line 79, in <module>
  9     projected_density_of_states = ProjectedDensityOfStates(
 10     projected_density_of_states = ProjectedDensityOfStates(
 11     projected_density_of_states = ProjectedDensityOfStates(
 12 NameError: name 'ProjectedDensityOfStates' is not defined
 13 NameError: application called MPI_Abort(MPI_COMM_WORLD, 1) - process 3
 14 name 'ProjectedDensityOfStates' is not defined
 15 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
 16 NameError: name 'ProjectedDensityOfStates' is not defined
 17     projected_density_of_states = ProjectedDensityOfStates(
 18 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1
 19 NameError: name 'ProjectedDensityOfStates' is not defined
 20 application called MPI_Abort(MPI_COMM_WORLD, 1) - process 2