[QE-users] Effective mass and the unit of k

[Paolo Giannozzi]

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?**
> 
> --
> 
> 
> Best Regards
> Jiale Shen
> Ph.D. Student**
> 
> Beijing Institute of Technology
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216