Recent Posts

Pages: [1] 2 3 ... 5
1
General Discussion / Re: Plotting DOS
« Last 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
2
General Discussion / Re: Plotting DOS
« Last 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.
3
General Discussion / Re: Plotting DOS
« Last post by nanachi on June 10, 2018, 02:09:35 AM »
Here is the main calculation results.
4
General Discussion / Plotting DOS
« Last 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.
5
General Discussion / Re: Grins stopped working
« Last post by gx on June 01, 2018, 07:57:56 AM »
glad to hear that
6
General Discussion / Re: Grins stopped working
« Last post by nanachi on June 01, 2018, 04:06:11 AM »
Thanks for your kind reply. It seems to work well now after I reboot my computer.  :D
7
General Discussion / Re: Grins stopped working
« Last post by gx on June 01, 2018, 03:55:11 AM »
please post your POSCAR for checking
8
General Discussion / Grins stopped working
« Last post by nanachi on May 31, 2018, 10:38:14 PM »
Hi,
  I have installed Graphic Instructor (version v3.2.6) on Windows 10. It alerted that "Grins stopped working" when I double-clicked POSAR in this software.  What should I do to solve this problem?  Thanks!
9
Users' Sharings / Re: Alert: There's error retrieving your HOMEDIR
« Last post by gx on May 21, 2018, 11:47:06 PM »
if you don't experience the error, you dnt need to do anything
10
General Discussion / Re: Band structure Plot Problem
« Last post by gx on May 21, 2018, 11:44:09 PM »
You can use the exported data (*.xyy in the folder of fatbands) to plot sum of orbitals you want.

They should  be like  (x-y-weight)
0 -12.1966 3.8
0 -4.39594 48.6
0 2.09368 0.7
0.0555556 -12.193 0.8
0.0555556 -12.1904 2.9
0.0555556 -4.69092 9.9
0.0555556 -4.44083 36.3
0.0555556 -2.97185 2.1
0.0555556 2.11422 0.2
0.111111 -12.1811 0.9
0.111111 -12.1722 2.7
0.111111 -5.23582 8.3
0.111111 -4.56479 35.7
0.111111 -2.45961 3.6
0.111111 2.15941 0.4
Pages: [1] 2 3 ... 5