vasplib:bandplot

bandplot

Label:

• vasp
• band
• spinless

Description of the Script:

plot a band stucture of standard vasp output

Input:

1. Files: POSCAR KPOINTS EIGENVAL/BAND.dat DOSCAR/Efermi

Output:

1. band-structure with nice output

Note:

Change log

• Document Date: 2020/12/05
• Creation Date: 2020/12/05
• Last updated : 2020/12/05

Copyright

• parkman
• parkman@buaa.edu.cn

Let’s begin

make sure you have copy the POSCAR KPOINTS EIGENVAL DOSCAR in this directory

1ls

for a default print,just type

1bandplot
2% or
3bandplot()

1bandplot;

for a user-defined bandplot

we shoulf first load the EIGENCAR, EIGENCAR = EIGENVAL_read(); which is a highly useful matric stucture with the format

1EIGENCAR = EIGENVAL_read();

bandplot parm

The whole parm of bandplot is [fig,ax]=bandplot(EIGENCAR,Ecut,titlestring,color,klist_l,kpoints_l,… kpoints_name,fontname,fig,ax) Here, we’d like check Ecut = [-6,6], with a title ‘Band Stucture CuI w SOC’ blue color, we just run and abtain a (title).eps file. You can open it with AI for publication

1bandplot(EIGENCAR,[-6,6],'title','Band Stucture CuI w SOC','Color','b');

save plot data

we can get handle and the plot data of a bandplot

1[fig,ax,data_plot] = bandplot()

  Number: 3
    Name: ''
   Color: [1 1 1]
Position: [680 558 560 420]
   Units: 'pixels'

         XLim: [0 3.0451]
         YLim: [-3 3]
       XScale: 'linear'
       YScale: 'linear'
GridLineStyle: '-'
     Position: [0.1300 0.1100 0.7750 0.7993]
        Units: 'normalized'

Parameters

default

1bandplot(EIGENCAR,Ecut,klist_l,kpoints_l,kpoints_name,'key','value',...);
2[fig,ax] = bandplot(EIGENCAR,Ecut,klist_l,kpoints_l,kpoints_name,'key','value',...);
3[fig,ax,plot_data_collection]bandplot(EIGENCAR,Ecut,klist_l,kpoints_l,kpoints_name,'key','value',...);

EIGENCAR = EIGENVAL_read();
Ecut = [-3,3];
klist_l = [];
kpoints_l = [];
kpoints_name = [];
options.fig =  handle([]);
options.ax =  handle([]);
options.fontname = 'Helvetica';
options.KPOINTS = 'KPOINTS';
options.POSCAR = 'POSCAR';
options.Color =  @jet;
options.title = '';
options.klist_l = [];
options.kpoints_l = [];
options.kpoints_name = [];
options.xlabel='';
options.ylabel='E(eV)';
options.LineSpec = '-';
options.LineWidth = 1;
options.MarkerSize = 3;
options.MarkerEdgeColor = [];
options.MarkerFaceColor = [];