[QE-users] TDDFT for periodic structure

Mohamed Ahmed Abd-Elati maa at niles.edu.eg
Tue Feb 5 11:48:03 CET 2019


Dear all
I am confusing about the calculation of TDDFT. As I read  turbo_lanczos is
used for isolated structure ( non periodic). However Turbo-EELS is used for
bulk periodic structure. my question is how can I use TDDFT for two
dimensional systems periodic structures ( graphene and BN sheets). Is that
available in Quantum esspresso or not?
*Mohammed A. Abdelati*
*Assistant Lecturer*
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES), Cairo
University, Giza, Egypt.
Mobile   +20 1009752922
Home    +201152605076
E-mail    ma1986ff at yahoo.com
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