Thank you very much, Blaha.
It is helpful for me.
I have another question.
How to plot the Fermi surface of DFT+eece result?
For with SOC,
outputso file should be changed to output1up file.
For DFT+eece,
is there any file to change the file name?
Thanks,
Myung-Chul
>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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P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at
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=
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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