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General Questions and Answers / Problem in Deformation Potnetial calculation with VCA method
« on: February 28, 2022, 08:48 »
Hello,
I'm trying to calculate deformation potential of the structure which was built in VCA method. The pseudopotential was selected as FHI with basis set of DoubleZetaPolarized. An error occured after the Dynamical Matrix and Hamiltonian Derivatives was calculated successfully.
The error was: AttributeError: 'NoneType' object has no attribute 'orbitalMap'
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13
I'm trying to calculate deformation potential of the structure which was built in VCA method. The pseudopotential was selected as FHI with basis set of DoubleZetaPolarized. An error occured after the Dynamical Matrix and Hamiltonian Derivatives was calculated successfully.
The error was: AttributeError: 'NoneType' object has no attribute 'orbitalMap'
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 13