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About intraband transition in optical conductivity
Date: 2025/07/30 17:05
Name: Yu Zhou   <yzhou@hdu.edu.cn>

Dear developers,

  Does the optical conductivity calculation in OpenMX includes the intraband transition part?&#8203; ，Can we include the intraband transition part in optical all the conductivity components (xx,xy,xz.....zz) by setting the the parameter "material_type" to 1 ?

 
Thank you!

Yu Zhou
Hangzhou Dianzi University, Hangzhou, China
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Re: About intraband transition in optical conductivity ( No.1 )
Date: 2025/07/30 19:56
Name: Yu Zhou  <yzhou@hdu.edu.cn>

I have tested the Fe example in work/ folder and the results are inconsistent with ones provided in the folder.
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Re: About intraband transition in optical conductivity ( No.2 )
Date: 2025/07/31 00:14
Name: Yung-Ting Lee

To include intraband transitions at the same k, please remove the 720th line in " Calc_optical.c ".

For example, for collinear case:
-----------
720th    // if (dfd_x_kw==0.0) continue;
-----------

Best regards,
Yung-Ting Lee
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