shift current

[fxm1]

Dear developer,
I am currently computing the shift current using Lumen.Since yambopy cannot be used to post-process the data in my case, I am working directly with ypp_nl.I have included my ypp_nl input file in the Appendix.After running ypp_nl, I obtain several output files labeled by different orders, for example:o.YPP-X_probe_order_0,o.YPP-X_probe_order_1,o.YPP-X_probe_order_2,o.YPP-X_probe_order_3,o.YPP-X_probe_order_4.
My question is:What physical quantities do the outputs with order_0 to order_4 correspond to?In particular, which of these orders contains the shift current?Since I am not using yambopy, I would like to understand how to correctly interpret these order_n outputs directly from ypp_nl.
Any clarification would be greatly appreciated.

Thanks!!

xiaomeng

[claudio]

Dear xiaomeng

YamboPy is compatible with Lumen, please use YamboPY and follow the tutorial.
Let us know if it works

best
Claudio

[fxm1]

Dear claudio

Thank you for your reply!
I used yambopy for the calculation, but the error shown in the figure occurs.
The script and the corresponding error are given below.
I would appreciate your help in resolving this issue.

Thanks!

xiaomeng

[claudio]

Probably it is not the last version of YamboPy,(we fixed bugs but they are not yet in the official release)

please download it from github and use the bug-fixes branch

https://github.com/yambo-code/yambopy/tree/bug-fixes

to install it, got in the yambopy folder and do

pip install -e ./

it should work
let me know
Claudio

[fxm1]

Dear claudio

Thank you for your reply.
I have followed your steps, but YamboPy still shows the previous installation time instead of the latest one. It seems the new version wasn't applied, and running the Python script still doesn't work. What should I do in this case?

xiaomeng

[admin]

Ok, in this case

uninstall the yambopy you have installed with the command:

Code: Select all

 pip uninstall yambopy

download the new one with the commands:

Code: Select all

 git clone https://github.com/yambo-code/yambopy.git
 cd yambopy
 git checkout bug-fixes

now install it with the command, from the yambopy folder

Code: Select all

 pip install ./

to check that everythings is fine just do

Code: Select all

 yambopy --help

and you should get

Code: Select all

 yambopy v0.6
 Available commands are:
  ............................

let me know if it works
best
Claudio

[Davide]

Dear Xiaomeng,
just a comment on the format of the messages-

Instead of attaching images, please copy and paste the code and use the "code block" format.

Best,
D.

[fxm1]

Dear claudio,

Thank you very much for your guidance. The calculation now runs successfully, and I have obtained the files
o.YamboPy-Sigma_probe_order_0–4.

I still have one question: what physical quantities are described by orders 0 to 4 in o.YamboPy-Sigma_probe_order_0–4?
In particular, which order stores the shift current?

I would appreciate your reply. Thank you very much.

xiaomeng

[fxm1]

Dear Xiaomeng,
just a comment on the format of the messages-

Instead of attaching images, please copy and paste the code and use the "code block" format.

Best,
D.

Okay, I will pay more attention next time. Thank you very much for your suggestion.
Best,
xiaomeng

[fxm1]

Ok, in this case

uninstall the yambopy you have installed with the command:

Code: Select all

 pip uninstall yambopy

download the new one with the commands:

Code: Select all

 git clone https://github.com/yambo-code/yambopy.git
 cd yambopy
 git checkout bug-fixes

now install it with the command, from the yambopy folder

Code: Select all

 pip install ./

to check that everythings is fine just do

Code: Select all

 yambopy --help

and you should get

Code: Select all

 yambopy v0.6
 Available commands are:
  ............................

let me know if it works
best
Claudio

Dear claudio,

Thank you very much for your guidance. The calculation now runs successfully, and I have obtained the files
o.YamboPy-Sigma_probe_order_0–4.

I still have one question: what physical quantities are described by orders 0 to 4 in o.YamboPy-Sigma_probe_order_0–4?
In particular, which order stores the shift current?

I would appreciate your reply. Thank you very much.

xiaomeng