Hello everyone
I am a beginner of the ABINIT code and I am trying to repeat the calculation in the article 'https://doi.org/10.1080/14786435.2015.1118573'. I am using the same type of pseudopotentials, structure, k-mesh, and cut-off energy as in the article, but my X(2) vs photon figure is different from Fig 6(left) in the article. The attachment is my input files and the X(2) image. Could you please give me some suggestions?
Best regards,
Yunfan
Nonlinear optic calculation
Moderators: mverstra, joaocarloscabreu
Nonlinear optic calculation
- Attachments
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AlBiO3.in- Calculation of WFK and DDK files
- (3.09 KiB) Downloaded 540 times
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- NlOptic.in
- Nonlinear optical calculation
- (517 Bytes) Downloaded 495 times
