Can you please help with the following code to generate a energy level diagram?
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Kalyan Jyoti Kalita
am 19 Jul. 2020
Beantwortet: Chidvi Modala
am 10 Aug. 2020
Hello everyone, I run the following code and generated the attached image. But unfortunately the horizontal bar (horizontal allignment) is missing for most of the cases. How to fix the code?
clc
clear all
close all
fig = figure('color','white','position',[40 300 700 475]);
hold on;
xlim([0 9]);
ylim([-8.5 -2.5]);
set(gca,'ydir','normal');
set(gca,'ytick',-8.5:0.5:-2.5);
ylabelString = get(gca,'yticklabel');
ylabelString{1} = 'HOMO';
ylabelString{end} = 'LUMO';
set(gca,'linewidth',3);
set(gca,'yticklabel',ylabelString);
ylabel('Energy (eV)');
set(gca,'xtick',[]);
set(gca,'xcolor',[1 1 1]);
set(gca,'fontweight','bold');
set(gca,'fontsize',12);
% each energy transition
itransition = 0;
energy1 = -8.00;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'I', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -4.43;
plot([itransition+0.5 itransition+1],[energy2 energy2],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 1;
energy1 = -7.60;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'II', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.96;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.64', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 2;
energy1 = -7.35;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'III', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.78;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 3;
energy1 = -7.30;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'IV', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.74;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 4;
energy1 = -7.28;
plot([itransition+0.5 itransition+1],[energy1 energy1],'r','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'V', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.72;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 5;
energy1 = -7.28;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VI', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.72;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 6;
energy1 = -7.27;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VII', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.71;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 7;
energy1 = -7.27;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'VIII', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.70;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.57', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
itransition = 8;
energy1 = -7.43;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy1-0.25,num2str(energy1,'%.2f'), ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
text(itransition+0.75,energy1-0.5,'IX', ...
'horizontalalignment','center','fontsize',12,'fontweight','bold');
energy2 = -3.87;
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
text(itransition+0.75,energy2+0.25,num2str(energy2,'%.2f'), ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
h = text(itransition+0.75,(energy1+energy2)/2,'E_g=3.56', ...
'horizontalalignment','center', ...
'fontsize',12,'fontweight','bold');
set(h,'Rotation',90);
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Akzeptierte Antwort
Chidvi Modala
am 10 Aug. 2020
The horizontal bar is missing for few cases because you are ploting the energy1 values instead of energy2 values for few cases. For itransition 1 to 8, you can replace
plot([itransition+0.5 itransition+1],[energy1 energy1],'k','Linewidth',5);
with
plot([itransition+0.5 itransition+1],[energy2 energy2],'k','Linewidth',5);
while plotting energy2 values. And also for better readability of values, you can reduce the Linewidth.
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