Implementation of HSE with external electric filed

Queries about input and output files, running specific calculations, etc.


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konda.physics@gmail.com
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Implementation of HSE with external electric filed

#1 Post by konda.physics@gmail.com » Mon Feb 05, 2018 12:01 am

Dear all,
I would like to know the possibility of computing the insulator to metal transition in 2D materials upon electric filed (using EFIELD option) with DFT+HSE method. To my best knowledge, tuning electronic properties with in standard DFT were reported so far in previous literature and not yet with HSE method. Kindly correct me if I am wrong and suggest me the possibilities.

Thanks in advance

with regards
S. Appalakondaiah
Postdoctoral scholar
SAINT
Sungkyunkwan university
South Korea

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Re: Implementation of HSE with external electric filed

#2 Post by support_vasp » Wed Sep 11, 2024 3:40 pm

Hi,

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