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[求助]
How to calculate the static dielectric constant for two dimensional material?
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Hi, emuch users, Recently, I want to calculate the static dielectric constant of one 2D material, according to the VASP manual, http://cms.mpi.univie.ac.at/wiki ... nt-particle_picture I get the MACROSCOPIC STATIC DIELECTRIC TENSOR (including local field effects in DFT) and MACROSCOPIC STATIC DIELECTRIC TENSOR IONIC CONTRIBUTION which are a second order tensor, my question is how to get the static dielectric constant? I know, for example, if I want to get the Z direction of dielectric, the second column is ok. But there exists a question, how to eliminate the contribution of vacuum? I would appreciate it if you could give me a bit of good advise. I really hope to hear from you as soon as possible. Best wishes! |
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2楼2016-04-01 21:08:28