ABINIT Discussion Forums

Dear Mohua,

First of all you post is in the wrong place. This section is for the response calculations.
To answer you question, try the tutorials of abinit then try to find out what you need in the tests directories: tests_v1 and test_v2 in the ABINIT distribution.

Ilyes Hamdi

Dear Fang, Before starting any response function calculations to get the phonon spectra of a given material, you should read the paper behind the theory, namely: 1) Responses to atomic displacements and macroscopic electric fields : detailed description of an implementation based on plane waves and ...

Dear Fang, I think with a little bit of search in the abinit forum, you should find your answers (Read the Nettiquette before posting). However, concerning your two questions: you should use anaddb code to get your results by imposing the acoustic sum rule in the input of the anaddb file (asr =1 or ...

Dear Matthieu,

I always had this warning when doing strain perturbation. So I cheked the code and I found that ASR is not coded in both elast9 and instr9.

best regards

Ilyes,