UT theoretical chemistry code forum

Hi,

I d really appreciate if anyone can answer my questions.

1. What s the difference between doslplot.pl and dosplot??

2. I just wanna plot the DOS for a specific atom (blue line). How can I exclude the DOS plot for all systems (Red line)?

3. How can I change the x-axis to E - E(fermi)?

Thanks for your help

Cheers
Kambiz

The doslplot.pl script generates plot of the local density of states, whereas the dosplot.pl script uses the total density of states.

With the doslplot.pl, you can plot the projection of the DOS onto a single atom.

These script are not particularly complicated. You can open them up and see what they are doing and make modifications or run a slightly different plotting routine. For example, at the end of the doslplot.pl script, you can see the gnuplot commands being run. Feel free to change the data (for example by shifting the energy axis) or how the data is plotted by running gnuplot directly, or any other plotting program that you would like.

Thanks,

I d really appreciate it.

Kambiz

Just one more question.

I dont see anything related to DOS profiles for spin up and spin down. Is it possible to plot the majority and minority LDOS profiles?

Thank you in advance

Kambiz