[Pw_forum] Want to calculate optical properties within pwscf-dfpt.

Hongsheng Zhao zhaohscas at yahoo.com.cn
Fri Jan 2 17:38:34 CET 2009


Dear PWSCF users,

I want to konw is it possible to use PWSCF to do some DFPT calculations to obtain the optical properties, such as dielectric functions, electro-optic coefficient, and nonlinear optical coefficient of a system presently?

Regards,
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences 
GnuPG DSA: 0xD108493
2009-1-3




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