Graphic Instructor

General Category => General Discussion => Topic started by: nanachi on June 10, 2018, 01:55:21 AM

Title: Plotting DOS
Post by: nanachi 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.

Title: Re: Plotting DOS
Post by: nanachi on June 10, 2018, 02:09:35 AM

Here is the main calculation results.

Title: Re: Plotting DOS
Post by: gx on June 11, 2018, 01:46:43 AM

Dear nanachi,

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

Title: Re: Plotting DOS
Post by: nanachi 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