How can I calculate the susceptibility of SHG by first principle?

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Yury V. Fedotov

I can suggest for calculation and modelling of SHG: "LID-FC"

"Nonlinear frequency conversion of laser radiation". Yoy can find it at http://lid.bmstu.ru/eng/soft_fc.html

Oleg Chekhlov

There is also a free soft - SNLO (http://www.as-photonics.com/snlo). I'd use for the first step.

Marzieh Ghoohestani

thank you Dear Fedotov & Dear Chekhlov

But I want to calculate susceptibility of SHG of crystals by DFT( density functional theory)?

C. Bohley

Hi, I suggest the DFT software ABINIT (www.abinit.org)