vaspkit-912生成计算有效质量KPOINTS出错
计算有效质量时遇到的问题严格按照例子格式写:
2 ! 1 for preprocess, 2 for postprocess
6 ! Typical value 4-8, number of points to fit second-order polynomial E=(h*k)^2/2m
0.015 ! Typical value 0.005-0.01 (in 1/A), kpoint spacing to determine the fitting precision of effective-mass
2
0.333333 0.33333330.0000.000 0.000 0.000K->G ! Calculate the effective-mass of K point along the K-G direction, where 'G->X' is kpath label.
0.333333 0.33333330.0000.500 0.000 0.000K->M ! Calculate the effective-mass of K point along the K-M direction, where 'G->X' is kpath label.
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