Author Topic: Plotting DOS  (Read 295 times)

nanachi

  • Newbie
  • *
  • Posts: 5
    • View Profile
Plotting DOS
« on: June 10, 2018, 01:55:21 AM »
Hi gx,
  I use GxInstructor 3.2.6 to plot total DOS of Si primitive cell, but I find that the peaks of total DOS created by Gx are lower than those plotted by p4vasp. Dose Gx divide DOS data by a constant such as the number of atoms? Below are the images plotted by Gx and p4vasp.

nanachi

  • Newbie
  • *
  • Posts: 5
    • View Profile
Re: Plotting DOS
« Reply #1 on: June 10, 2018, 02:09:35 AM »
Here is the main calculation results.

gx

  • Administrator
  • Newbie
  • *****
  • Posts: 43
    • View Profile
Re: Plotting DOS
« Reply #2 on: June 11, 2018, 01:46:43 AM »
Dear nanachi,

   G.I. use the original arbitrary unit in DOSCAR  rather than state/eV.

nanachi

  • Newbie
  • *
  • Posts: 5
    • View Profile
Re: Plotting DOS
« Reply #3 on: June 11, 2018, 04:45:54 AM »
Dear gx,
  Thanks for your reply. Is there any method to convert DOS unit to "states/eV" in G.I.?  :D