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 从 Windows 版邮件<https://go.microsoft.com/fwlink/?LinkId=550986>发送
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