[Wannier] (no subject)
Khalid Ibne Masood Khalid
kimu206 at gmail.com
Thu Mar 26 14:29:48 CET 2015
I am new to wannier90, and I apologize my physics is not good enough. I
have two questions:
1) When writing wannier input file (.win file) I have found the projection
block most painful. I am not sure where and which orbitals to choose. (how
many s and p should be taken?) Does this initial approximated projection
affect the final transport result? If I take random projections, will that
be okay in transport problems ?
2) I want to consider the effect of electrical field in transport
properties, for this I can take electric field in my DFT calculations, but
I was wondering whether I take the gamma only option with electric field in
my DFT calculation, will it be allowed in wannierisation ?
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