Author Topic: Vasp DOS in VNL  (Read 4435 times)

0 Members and 1 Guest are viewing this topic.

Offline fso002

  • Regular QuantumATK user
  • **
  • Posts: 14
  • Country: us
  • Reputation: 0
    • View Profile
Vasp DOS in VNL
« on: May 21, 2015, 00:20 »
Hello,

 I am using the VNL GUI to visualize the DOS obtained from VASP calculations. I want to set the Fermi level to 0 eV, is there a way to do this with VNL?

Thanks,
Fernando Soto

Offline Jess Wellendorff

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 933
  • Country: dk
  • Reputation: 29
    • View Profile
Re: Vasp DOS in VNL
« Reply #1 on: May 21, 2015, 14:15 »
Hi Fernando,

unfortunately, it is currently not possible to shift the VASP DOS plot such that the Fermi energy is at 0 eV. But we will consider it a user request :)

What you can do is to export the DOS from the VNL 2D plot window (right click and choose export).  This will give you a text file with energies in column 1 and DOS in column 2. The Fermi level is written at the end of the file, just below "# Constant line number 0". Then it should be easy to manually plot the shifted DOS.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5565
  • Country: dk
  • Reputation: 93
    • View Profile
    • QuantumATK at Synopsys
Re: Vasp DOS in VNL
« Reply #2 on: May 21, 2015, 17:38 »
Or choose "Export..." from the LabFloor, the format is a bit nicer there.