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

jiale shen shenjiale618 at outlook.com
Thu Mar 23 18:54:12 CET 2023


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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