Usually k-points in band plots are in 2\pi/a units
On 23/03/2023 18:54, jiale shen wrote:
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Dear QE users:
I want to fit the bandstructure data calculated by qe6.6 to obtain the
effective mass. We used the bands. x module to obtain the band.dat.gnu.
What is the unit of the first column k? For example, the first column
unit given by vaspkit is 1/A. Does anyone know the exact unit of the
first column obtained by bands. x? "CELL_PARAMETERS (angstrom)" set in
my input file.Any procedure on QE calculate the effective mass of 3D
system?**
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Best Regards
Jiale Shen
Ph.D. Student**
Beijing Institute of Technology
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
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people and expresses its concerns about the devastating
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country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
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