Dear developers,
I calculated the shg components xxx and yxx of TD-aGW according to this tutorialhttps://www.lumen-code.org/wiki/index.php?title ... or_TD-BSE). Finally, I obtained a shg spectrum with intense oscillations. Did I make a mistake in any of my settings? The attachment contains all my input and output files.
Best，
sunxl
TD-aGW shg oscillation
TD-aGW shg oscillation
- Attachments
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- shg.zip
- (131.03 KiB) Downloaded 183 times
Re: TD-aGW shg oscillation
Dear sunxl,
I'm not sure what you are asking.
You followed the tutorial, and you got results for X2_yyy in hBN monolayer different from the ones reported in the wiki ?
Best,
D.
I'm not sure what you are asking.
You followed the tutorial, and you got results for X2_yyy in hBN monolayer different from the ones reported in the wiki ?
Best,
D.
Davide Sangalli, PhD
Piazza Leonardo Da Vinci, 32, 20133 – Milano
CNR, Istituto di Struttura della Materia (ISM)
https://sites.google.com/view/davidesangalli
Piazza Leonardo Da Vinci, 32, 20133 – Milano
CNR, Istituto di Struttura della Materia (ISM)
https://sites.google.com/view/davidesangalli
Re: TD-aGW shg oscillation
Dear Davide,
Sorry, perhaps I didn't express myself clearly. My problem is that after I calculated the yxx and xxx components of SHG according to the tutorial, when I squared the real and imaginary parts and then took the modulus value, the resulting spectral line oscillated wildly, as shown in the following figure.
Best,
sunxl
Sorry, perhaps I didn't express myself clearly. My problem is that after I calculated the yxx and xxx components of SHG according to the tutorial, when I squared the real and imaginary parts and then took the modulus value, the resulting spectral line oscillated wildly, as shown in the following figure.
- shg.png (53.6 KiB) Viewed 3307 times
sunxl