[Wien] implementation_hybrid_funcitonals

Battal Gazi Yalçın gyalcin at sakarya.edu.tr
Tue May 28 16:10:19 CEST 2013


Dear wien2k users,

I m using WIEN2k_12.1 (Release 22/7/2012).

I want to calculate electronic structure of AlAs with hybrid functional.
But, I tried to run  'init_hf_lapw' bash responded that command not found.
then, I cant run the 'runsp_lapw -hf' because the necessary files are
absent.

How can I add the command  'init_hf_lapw'  in the WIENROOT directory.

I have re-installed the Wien2k. But, the problem is not solved.

Is there any way?

Thanks a lot

Res. Ass. Battal Gazi Yalcin
Sakarya University
Art and Science Faculty
Department of Physics
Sakarya TURKEY
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