QuantumATK => General Questions and Answers => Topic started by: wang2366 on June 1, 2017, 14:58
Title: 'ProjectedDensityOfStates' is not defined
Post by: wang2366 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
Title: Re: 'ProjectedDensityOfStates' is not defined
Post by: Anders Blom on June 1, 2017, 18:16
Code: python
if not found(ProjectedDensityOfStates): print "Your version of ATK does not support this functionality"