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optical conductivity and dielectric function in ver. 3.9
Date: 2020/10/27 03:36
Name: reza   <majidiniareza@gmail.com>

Hello to all
I want to calculate optical conductivity and dielectric function with open mx 3.9. I have added relevant keywords to my input file such as
CDDF.start
CDDF.FWHM
CCDF_maximum_energy
CCDF.additional _maximum-energy
CDDF.frequency.grid.total_number
and CDDF.material_type
I have two questions?
1. in CDDF.material_type 0 is for insulator and 1 is for insulator and metal? this is vague?
2.in section codes: from user manual
routines relevant to the calculations of conductivity and dielectric function are listed below:
Band_ DFT_Col_Optical.c
.......


what are these codes for?
Do these also need to be compiled?
thanks a lot.
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Re: optical conductivity and dielectric function in ver. 3.9 ( No.1 )
Date: 2020/10/29 17:20
Name: T. Ozaki

Hi,

> 1. in CDDF.material_type 0 is for insulator and 1 is for insulator and metal? this is vague?

With "1", both the cases of insulator and metal can be treated.
The difference is just for the treatment for the resonance of around zero.

> 2.in section codes: from user manual
> Do these also need to be compiled?

No, you do not need to compile specifically.
The executable file "openmx" contains the functionality.

Regards,

TO
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Re: optical conductivity and dielectric function in ver. 3.9 ( No.2 )
Date: 2020/10/31 03:45
Name: reza  <majidiniareza@gmail.com>

Hello prof.ozaki

it was useful.thanks a lot.
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