Page 1 of 1

bse diagonalization

Posted: Fri Sep 19, 2014 9:13 am
by samaneh
Hello developers,
I run yambo -o b -k sex -y d but I can't find the excitonic eigenstates in the output file!!
I've attached the need files would you please help me with this problem?
Best
S. Ataei, University of Tehran

Re: bse diagonalization

Posted: Fri Sep 19, 2014 9:17 am
by Daniele Varsano
Dear Samaneh,
you need to use the ypp utility.

Code: Select all

ypp -e s 
to look at eigenvalues ordered by increasing energy and intensity

Code: Select all

ypp -e a 
to generate input file to look at transition states involved in the excitation

Code: Select all

ypp -e w
to build up an excitonic wave function

All this is shown in the tutorials.

Best,
Daniele