You should be able to use optics with -eece
However, the way you do spin-polarizd optics is wrong.
Before using kram, you need to add the spins. (addjoint-updn), see
optics section of UG.
On 07/15/2018 07:56 AM, Aaron Jung wrote:
Dear users and developers,
Hi~
I am trying to calculate the optical properties with the converged SCF
data from DFT+eece.
My system is metallic.
The conventional calculation process is
x lapw2 -fermi -up
x lapw2 -fermi -dn
edit case.inop
x optic -up; x optic -dn
edit case.injoint (option :6)
x joint -up; x joint -dn
edit case.injoint (option :4)
x joint -up; x joint -dn
edit case.inkram
x kram -up; x kram -dn
So,
my question is
first, can I calculate the optical properties for DFT+eece using OTICS
program?
second, If yes, should I need another option for above process?
My electronic structure and optical conductivity are attached.
Thanks for you interest.
Myung-Chul.
band
https://drive.google.com/file/d/1oRA-qI1WpFSDDXCqNq_uN9egPIeWTbEZ/view?usp=sharing
optical conductivity
https://drive.google.com/file/d/11bn1UMpwvI_rFxexQMf6kyeAnhSQzcXx/view?usp=sharing
=============================================================
Myung-Chul Jung
Ph. D student
Department of Applied Physics
Korea University, Sejong campus
2511 Sejong-ro, Sejong
30019, Republic of Korea
=============================================================
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