SHG's calculation

[ljzhou86]

I have read the article "http://arxiv.org/abs/1310.7459" named "Second Harmonic Generation in h-BN and MoS2 monolayers: the role of electron-hole interaction" recently.
In the ref 31, the Numerical details were stated in the following "For the MoS2 layer we used the experimental lattice constant of the bulk MoS2 as in Ref. [6] and an inter-layer distance of 30 a.u. The electron-ion term was approximated using norm conserving pseudo-potentials and exchange correlation term using the Perdew, Burke and
Ernzerhof functional [Phys. Rev. Lett. 77, 3865 (1996)].The GW correction of 0:72 eV was taken from Ref. [6].The screened Coulomb interaction was calculated using
100 bands and a cuto of 2 Ha on the dielectric matrix dimensions. SHG was obtained using a 21 21 1 k-point grid, 18 bands within IPA and TDH, and bands between
the 3rd and the 16th for the TDSHF"

Could you tell how to implement the calculation of SHG by yambo via IPA, TDH and TDSHF to obtain the SHG spectra (Fig 1 and Fig 2 in http://arxiv.org/abs/1310.7459 ). I cannot find such tutorials for SHG's calculation.

[Daniele Varsano]

Dear Zhou,
sorry, but the SHG implementation it is not in the GPL release of the code. Hopefully it will be released in the near future.
Best,
Daniele

[claudio]

Dear Zhou

soon I will make available a version of the code to calculate SHG in IPA, RPA and TDDFT approximation,

you can write me direcltly to know when the will be online

with best regards
Claudio Attaccalite

[ljzhou86]

Dear Claudio:

Dear Zhou

soon I will make available a version of the code to calculate SHG in IPA, RPA and TDDFT approximation,

you can write me direcltly to know when the will be online

with best regards
Claudio Attaccalite

Have you make the ability of calculating SHG in yambo be available now online?

[Daniele Varsano]

Dear Zhou,
as stated above, you should contact Claudio directly in order to know about that.
Best,
Daniele

[kazemoor]

Dear friends
Is SHG and THG calculation available in Yambo-4.0.0?

Thanks

Ali Kazempour, Physics Dept. PNU university, Tehran, IRAN

[Daniele Varsano]

Dear Ali,
unfortunately this feature it is not yet available in the GPL version of the code.

Best,
Daniele

[kazemoor]

Dear Daniele
Is SHG available in SVN version of yambo?
THanks

Ali Kazempour, Physics Dept. PNU university, Tehran, IRAN

[Daniele Varsano]

Dear Ali,
sorry but this part it is not released. You can write to the authors of the SHG paper if they are willing to release it in the future.
Best,
Daniele