Lumen forum

Dear xiaomeng

did you use the same approximations for BSE and shift-current?

You also have to consider that in the shift-current resposne there are addition peaks due to the one or two-phonon
resonances that are not present in the linear response.

I advice you to test on a simple case like h-BN ...

Dear xiaomeng

we updated yambopy and also the name of the subroutines,
just remove the line

from yambopy.nl.harmonic_analysis import Harmonic_Analysis

and it should work

best
Claudio

Dear Shudong

do not worry this warning message is not important.
The fact is that there are two way to specify frequencies. In non-linear optical modes "yambo_nl -u n"
there is a loop on the frequencies, while in the pump and probe mode "yambo_nl -u p" there is a single
frequency specified by the ...

Dear xiaomeng

you will find the shift current in the file

o.YamboPy-Sigma_probe_order_0

the column 1 is the energy

columns 2,3 are the imaginary and real part along x-direction
columns 4,5 are the imaginary and real part along y-direction
columns 6,7 are the imaginary and real part along y ...

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 ...

Dear Shudong

This is really puzzling to me. If they have the same symmetries and the same number of k-points in the IBZ,
when you remove the symmetries, shouldn't they still have the same number of k-points.
Please provide an example and I will take a look.

best
Claudio

Dear xiaomeng

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

best
Claudio

May you put in the forum also the file

log/compile_qe_pseudo.log

and try to do:

make distclean

before the configure

best
Claudio

Dear Shudong

it is difficult for me to help you because I just downloaded again Lumen-2.0 on my PC
and recompiled it with oneAPI without problems :-(

So let's try different things:
1) which version of oneAPI do you have? in general try to update it
2) try the last bug-fixes version of Lumen here ...

Dear Shudong

try to do
and then configure as:
and let us know if it works
best
Claudio