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### Re: The oscillator strength and the imaginary part

Posted: Mon Jul 05, 2021 9:36 am
Dear Daniele:
I just want to know the |<e|D|h>|^2,the combination of one dipole elements,could I get that value from the outfile of yambo?
I need the dipole which is composed of electron-hole pair to analyze my system.
I think that the |Acv|^2 as weight could be obtained，so the dipole|<e|D|h>|^2 should also could be printed,is it?
how can I got the value of the dipole element or the square of modules of transition matrix elements of each electron-hole pairs?
That is very important for me to analyze the exciton properties in my system,please give me more help.
Everything goes well with your work！
Best wishes！
Quxiao
BIT

### Re: The oscillator strength and the imaginary part

Posted: Mon Jul 05, 2021 9:52 am
Dera Quxiao,
you can read them form the ndb.dipoles* databases.
Here, an example python script to extract them. Of course you need to adapt to your needs.

Otherwise the easiest way use the yambo-py utility.
You can have a look to this post on how to use it:
viewtopic.php?f=15&t=1889&p=9564&hilit=python#p9564

Best,
Daniele

### Re: The oscillator strength and the imaginary part

Posted: Wed Jul 07, 2021 9:59 am
Dear Daniele:
Thanks very much for your help
I use the script written by palful to get the dipole elements because that is easy to learn.
However I use the yambo4.4.1,so the filename is ndb.dip_iR_and_P(not the ndb.dipoles)
I got the dipole elements,however that is complex number,which is beyond my expectation.
Besides,in the o-3D_BSE.exc_qpt1_weights_at_14,I get the Acv(Band_V=15,Band_C =17)is not zero,but the dipole elements<15|D|17> is 0j which printed by the script
Now,firstly.I would use your script to get the dipole elements again.Then I think that edition maybe a reason for that ,so I need to use the yambo5.0,is it?

BIT
QUxiao

### Re: The oscillator strength and the imaginary part

Posted: Wed Jul 07, 2021 10:54 am
Dear Quixiao,
however that is complex number,which is beyond my expectation.
wfs are complex so dipole moments are.
Besides,in the o-3D_BSE.exc_qpt1_weights_at_14,I get the Acv(Band_V=15,Band_C =17)is not zero,but the dipole elements<15|D|17> is 0j which printed by the script
Acv are the eigenvector of the BSE and they are not related with the dipoles.
Then I think that edition maybe a reason for that ,so I need to use the yambo5.0,is it?
In any case I suggest you to use an updated version of the code.

Best,
Daniele

### Re: The oscillator strength and the imaginary part

Posted: Tue Aug 10, 2021 4:32 pm
Hi Quxiao,

You can print the transition dipole for each exciton with modifying the ypp/excitons/excitons_sort_and_report.F. viewtopic.php?f=9&t=1742&start=20

Best,
Xiaoming

### Re: The oscillator strength and the imaginary part

Posted: Wed Sep 08, 2021 12:32 pm
Dear xiaoming:
Thanks for your help,but I use the yambo4.4.1,so I find that ypp is not very satisfied with your script.
I am appreciate it for your kindness, and I will think how to solve that.
maybe refer to your script or change the yambo5.0.
Best Wishes
Quxiao
BIT