Author Topic: Error in reading Quantum Espresso band structure energies  (Read 2428 times)

0 Members and 1 Guest are viewing this topic.

Offline Divyagayathri

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: in
  • Reputation: 0
    • View Profile
Hello all,
I am using Quantum espresso to run the bands calculations for zig-zag carbon nanotube . But when I try to visualise the Band structure in VNL, I get the following error: "Error in reading Quantum Espresso band structure energies". I have checked my input file with the previously posted answers here. I have set my verbosity as high. The version of my PWSCF is 6.1. So I am not knowing what's the problem with it. I have attached my input file below. Kindly help me in ssolving this.
Thanks in advance.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Error in reading Quantum Espresso band structure energies
« Reply #1 on: January 26, 2018, 10:32 »
Please send this information together with your QE input and output files to support@quantumwise.com. Also mention the VNL version you are using.

Offline Divyagayathri

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: in
  • Reputation: 0
    • View Profile
Re: Error in reading Quantum Espresso band structure energies
« Reply #2 on: January 28, 2018, 12:12 »
Hello sir,
I have attached my input and output files below. The VNL version that I use is 2017.

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Error in reading Quantum Espresso band structure energies
« Reply #3 on: January 29, 2018, 15:06 »
Please send it to support, and do not convert the original files to doc format to avoid any hidden characters to be inserted upon conversion.