« previous next »
Pages: [1]   Go Down

Author Topic: Problem in Deformation Potnetial calculation with VCA method  (Read 1434 times)

0 Members and 1 Guest are viewing this topic.

Offline WeiShang

  • New QuantumATK user
  • *
  • Posts: 1
  • Country: cn
  • Reputation: 0
    • View Profile
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





Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5411
  • Country: dk
  • Reputation: 89
    • View Profile
    • QuantumATK at Synopsys
Re: Problem in Deformation Potnetial calculation with VCA method
« Reply #1 on: April 6, 2022, 04:25 »
Tricky to say without the input file but clearly there is a problem with it saying "0 tasks" under HamiltonianDerivatives.
Logged
Pages: [1]   Go Up
« previous next »