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
bse diagonalization
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bse diagonalization
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S. Ataei, PhD student at University of Tehran, Iran.
- Daniele Varsano
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Re: bse diagonalization
Dear Samaneh,
you need to use the ypp utility. to look at eigenvalues ordered by increasing energy and intensity
to generate input file to look at transition states involved in the excitation
to build up an excitonic wave function
All this is shown in the tutorials.
Best,
Daniele
you need to use the ypp utility.
Code: Select all
ypp -e s
Code: Select all
ypp -e a
Code: Select all
ypp -e w
All this is shown in the tutorials.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/