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[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Wu Rongqin wrote:
> Dear all,
>
>  
>
> I want to do nonlinear optics calculation. Abinit can now do only when 
> ixc=3 or 7. but very few pseudopotentials are made from such ex-co 
> function. So if the pps have different pspxc from 3 or 7, can they be 
> used to do nonlinear optics calculation by setting ixc=3 or 7?

Dear Wu Rongqin,

Just to be sure : are you interested in low-frequency non-linear
responses (like electrooptic coefficients, that include the phonon
contributions, but for frequencies << 1 eV),
or in responses to electro-magnetic radiations in the visible range ?

Electro-optic coefficients are present in v4.3 , however
with restricted ixc choice. You might test the sensibility
to ixc choice by changing it for linear responses... Still,
this would not guarantee that the answer is sufficiently accurate
for your purpose.

In the latter case (visible range), some capabilities (sum-over-states)
are present in v4.4 (thanks to S. Sharma, helped by M.Verstraete),
to be available soon, but nothing in v4.3 .
All ixc choices will be allowed.

Xavier Gonze